9H-pyrido[3,4-b]indole-1-carboxamide

C12H9N3O — CID 611121

IUPAC9H-pyrido[3,4-b]indole-1-carboxamide
SMILESNC(=O)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C12H9N3O/c13-12(16)11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-10/h1-6,15H,(H2,13,16)
InChIKeyJUXJIYPXDYCRKZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.82
Rot. Bonds1

About 9H-pyrido[3,4-b]indole-1-carboxamide

9H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 611121) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 9H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound Name9H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID611121
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name9H-pyrido[3,4-b]indole-1-carboxamide
SMILESNC(=O)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C12H9N3O/c13-12(16)11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-10/h1-6,15H,(H2,13,16)
InChIKeyJUXJIYPXDYCRKZ-UHFFFAOYSA-N
XLogP1.82
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of 9H-pyrido[3,4-b]indole-1-carboxamide (CID 611121) is 9H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for 9H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for 9H-pyrido[3,4-b]indole-1-carboxamide is NC(=O)c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 9H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is JUXJIYPXDYCRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-12(16)11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-10/h1-6,15H,(H2,13,16).
What are the key properties of 9H-pyrido[3,4-b]indole-1-carboxamide?
9H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 211.22 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 611121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).