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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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).