N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide

C17H11ClN4O — CID 21362689

IUPACN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccccn1
InChIInChI=1S/C17H11ClN4O/c18-10-7-12-11-4-6-19-9-15(11)21-16(12)14(8-10)22-17(23)13-3-1-2-5-20-13/h1-9,21H,(H,22,23)
InChIKeyILRHFVZQQJWGLM-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.02
Rot. Bonds2

About N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide

N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide (PubChem CID 21362689) has the molecular formula C17H11ClN4O and a molecular weight of 322.76 g/mol. Its IUPAC name is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide
PubChem CID21362689
Molecular FormulaC17H11ClN4O
Molecular Weight322.76 g/mol
Exact Mass322.06
IUPAC NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccccn1
InChIInChI=1S/C17H11ClN4O/c18-10-7-12-11-4-6-19-9-15(11)21-16(12)14(8-10)22-17(23)13-3-1-2-5-20-13/h1-9,21H,(H,22,23)
InChIKeyILRHFVZQQJWGLM-UHFFFAOYSA-N
XLogP4.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide?
The IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide (CID 21362689) is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide is O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccccn1.
What is the InChIKey of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide?
The InChIKey is ILRHFVZQQJWGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O/c18-10-7-12-11-4-6-19-9-15(11)21-16(12)14(8-10)22-17(23)13-3-1-2-5-20-13/h1-9,21H,(H,22,23).
What are the key properties of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide?
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide has a molecular weight of 322.76 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-2-carboxamide is sourced from PubChem (CID 21362689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).