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

C17H11ClN4O — CID 10448840

IUPACN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccncc1
InChIInChI=1S/C17H11ClN4O/c18-11-7-13-12-3-6-20-9-15(12)21-16(13)14(8-11)22-17(23)10-1-4-19-5-2-10/h1-9,21H,(H,22,23)
InChIKeyINRHIERIYYTNDP-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.02
Rot. Bonds2

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

N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide (PubChem CID 10448840) 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-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide
PubChem CID10448840
Molecular FormulaC17H11ClN4O
Molecular Weight322.76 g/mol
Exact Mass322.06
IUPAC NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccncc1
InChIInChI=1S/C17H11ClN4O/c18-11-7-13-12-3-6-20-9-15(12)21-16(13)14(8-11)22-17(23)10-1-4-19-5-2-10/h1-9,21H,(H,22,23)
InChIKeyINRHIERIYYTNDP-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

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide?
The IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide (CID 10448840) is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide is O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccncc1.
What is the InChIKey of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide?
The InChIKey is INRHIERIYYTNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O/c18-11-7-13-12-3-6-20-9-15(12)21-16(13)14(8-11)22-17(23)10-1-4-19-5-2-10/h1-9,21H,(H,22,23).
What are the key properties of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide?
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-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-4-carboxamide is sourced from PubChem (CID 10448840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).