Cas no 23256-12-4 (9H-Pyrido[3,4-b]indole-3-carboxamide,1-methyl-)
23256-12-4 structure
Product Name:9H-Pyrido[3,4-b]indole-3-carboxamide,1-methyl-
CAS No:23256-12-4
MF:C13H11N3O
MW:225.245942354202
CID:260628
PubChem ID:5360730
Update Time:2025-04-19
9H-Pyrido[3,4-b]indole-3-carboxamide,1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Pyrido[3,4-b]indole-3-carboxamide,1-methyl-
- 1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
- 1-Methyl-9H-beta-carboline-3-carboxamide
- GPA 127
- 9H-Pyrido(3,4-b)indole, 3-carbamoyl-1-methyl-
- methyl-b-carboline-3-carboxamide
- 23256-12-4
- BRN 0748953
- 9H-Pyrido(3,4-b)indole-3-carboxamide, 1-methyl-
- DTXSID60177828
-
- Inchi: 1S/C13H11N3O/c1-7-12-9(6-11(15-7)13(14)17)8-4-2-3-5-10(8)16-12/h2-6,16H,1H3,(H2,14,17)
- InChI Key: WWOQNKXXDOLCLH-UHFFFAOYSA-N
- SMILES: O=C(C1=CC2C3C=CC=CC=3NC=2C(C)=N1)N
Computed Properties
- Exact Mass: 225.09033
- Monoisotopic Mass: 225.090211983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 320
- 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: 1.9
- Topological Polar Surface Area: 71.8?2
Experimental Properties
- PSA: 71.77
9H-Pyrido[3,4-b]indole-3-carboxamide,1-methyl- Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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