Cas no 15935-96-3 (1,8-Naphthyridine-3-carboxamide, 2-amino-)
15935-96-3 structure
Product Name:1,8-Naphthyridine-3-carboxamide, 2-amino-
CAS No:15935-96-3
MF:C9H8N4O
MW:188.186020851135
CID:96401
PubChem ID:3039149
Update Time:2025-04-18
1,8-Naphthyridine-3-carboxamide, 2-amino- Chemical and Physical Properties
Names and Identifiers
-
- 1,8-Naphthyridine-3-carboxamide, 2-amino-
- 2-amino-1,8-naphthyridine-3-carboxamide
- CHEMBL3305570
- DTXSID20388796
- SCHEMBL14958512
- 2-amino-[1,8]-naphthyridine-3-carboxamide
- 15935-96-3
-
- Inchi： 1S/C9H8N4O/c10-7-6(8(11)14)4-5-2-1-3-12-9(5)13-7/h1-4H,(H2,11,14)(H2,10,12,13)
- InChI Key： HPADGDFXUYBWMU-UHFFFAOYSA-N
- SMILES： O=C(C1=C(N)N=C2C(C=CC=N2)=C1)N
Computed Properties
- Exact Mass: 188.06994
- Monoisotopic Mass: 188.07
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 233
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 94.9?2
Experimental Properties
- PSA: 94.89
1,8-Naphthyridine-3-carboxamide, 2-amino- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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