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

C12H9N3O — CID 87624385

IUPAC1H-pyrido[4,3-b]indole-9-carboxamide
SMILESNC(=O)c1cccc2c1=C1CN=CC=C1N=2
InChIInChI=1S/C12H9N3O/c13-12(16)7-2-1-3-10-11(7)8-6-14-5-4-9(8)15-10/h1-5H,6H2,(H2,13,16)
InChIKeyHLJYUYQTKHEGBB-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.46
Rot. Bonds1

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

1H-pyrido[4,3-b]indole-9-carboxamide (PubChem CID 87624385) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 1H-pyrido[4,3-b]indole-9-carboxamide.

Molecular Properties

Compound Name1H-pyrido[4,3-b]indole-9-carboxamide
PubChem CID87624385
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name1H-pyrido[4,3-b]indole-9-carboxamide
SMILESNC(=O)c1cccc2c1=C1CN=CC=C1N=2
InChIInChI=1S/C12H9N3O/c13-12(16)7-2-1-3-10-11(7)8-6-14-5-4-9(8)15-10/h1-5H,6H2,(H2,13,16)
InChIKeyHLJYUYQTKHEGBB-UHFFFAOYSA-N
XLogP-0.46
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrido[4,3-b]indole-9-carboxamide?
The IUPAC name of 1H-pyrido[4,3-b]indole-9-carboxamide (CID 87624385) is 1H-pyrido[4,3-b]indole-9-carboxamide.
What is the SMILES notation for 1H-pyrido[4,3-b]indole-9-carboxamide?
The canonical SMILES for 1H-pyrido[4,3-b]indole-9-carboxamide is NC(=O)c1cccc2c1=C1CN=CC=C1N=2.
What is the InChIKey of 1H-pyrido[4,3-b]indole-9-carboxamide?
The InChIKey is HLJYUYQTKHEGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-12(16)7-2-1-3-10-11(7)8-6-14-5-4-9(8)15-10/h1-5H,6H2,(H2,13,16).
What are the key properties of 1H-pyrido[4,3-b]indole-9-carboxamide?
1H-pyrido[4,3-b]indole-9-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrido[4,3-b]indole-9-carboxamide is sourced from PubChem (CID 87624385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).