6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide

C15H13Cl2N3O — CID 25176419

IUPAC6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc(N2CCC2)c(Cl)c1
InChIInChI=1S/C15H13Cl2N3O/c16-11-3-1-4-12(8-11)19-15(21)10-7-13(17)14(18-9-10)20-5-2-6-20/h1,3-4,7-9H,2,5-6H2,(H,19,21)
InChIKeyMGFIDOHGSOMWSC-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.85
Rot. Bonds3

About 6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide

6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide (PubChem CID 25176419) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
PubChem CID25176419
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc(N2CCC2)c(Cl)c1
InChIInChI=1S/C15H13Cl2N3O/c16-11-3-1-4-12(8-11)19-15(21)10-7-13(17)14(18-9-10)20-5-2-6-20/h1,3-4,7-9H,2,5-6H2,(H,19,21)
InChIKeyMGFIDOHGSOMWSC-UHFFFAOYSA-N
XLogP3.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109268738
N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109244496
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
CID 42690640
6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109155130
5-chloro-N-(3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 25176417
N-(3-chlorophenyl)-2-(2,6-dichloroanilino)pyrimidine-5-carboxamide
CID 109268750
3-N-(3-chlorophenyl)-5-N-cyclopentylpyridine-3,5-dicarboxamide
CID 109102765
N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109263215
N-(3-chlorophenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103815
N-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 174182369

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide (CID 25176419) is 6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cnc(N2CCC2)c(Cl)c1.
What is the InChIKey of 6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is MGFIDOHGSOMWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c16-11-3-1-4-12(8-11)19-15(21)10-7-13(17)14(18-9-10)20-5-2-6-20/h1,3-4,7-9H,2,5-6H2,(H,19,21).
What are the key properties of 6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide?
6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 25176419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).