1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide

C21H19N3O — CID 172843390

IUPAC1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCC(C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
InChIInChI=1S/C21H19N3O/c1-13(2)22-21(25)18-12-16-15-10-6-7-11-17(15)23-20(16)19(24-18)14-8-4-3-5-9-14/h3-13,23H,1-2H3,(H,22,25)
InChIKeyXCDPHNPZARJRSP-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.52
Rot. Bonds3

About 1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide

1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 172843390) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID172843390
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCC(C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
InChIInChI=1S/C21H19N3O/c1-13(2)22-21(25)18-12-16-15-10-6-7-11-17(15)23-20(16)19(24-18)14-8-4-3-5-9-14/h3-13,23H,1-2H3,(H,22,25)
InChIKeyXCDPHNPZARJRSP-UHFFFAOYSA-N
XLogP4.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6235795
3-methylsulfanyl-2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6217181
benzyl (2S)-4-methyl-2-[[1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]pentanoate
CID 141266926
1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide
CID 141453848
2-[[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 6235846
5-amino-2-[[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-5-oxopentanoic acid
CID 6235704
1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172750422
1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 57392198
4-[1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-2-methyl-4-oxobutanoic acid
CID 159018259
methyl 1-(4-formylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 141454158
2-[[1-(2,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-3-hydroxybutanoic acid
CID 6217243
N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 153312546

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide (CID 172843390) is 1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide is CC(C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is XCDPHNPZARJRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-13(2)22-21(25)18-12-16-15-10-6-7-11-17(15)23-20(16)19(24-18)14-8-4-3-5-9-14/h3-13,23H,1-2H3,(H,22,25).
What are the key properties of 1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide?
1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 172843390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).