6-(3-chlorophenyl)-N-phenylpyridine-2-carboxamide

C18H13ClN2O — CID 71087948

IUPAC6-(3-chlorophenyl)-N-phenylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H13ClN2O/c19-14-7-4-6-13(12-14)16-10-5-11-17(21-16)18(22)20-15-8-2-1-3-9-15/h1-12H,(H,20,22)
InChIKeyOSUBLPROJVIIKK-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.65
Rot. Bonds3

About 6-(3-chlorophenyl)-N-phenylpyridine-2-carboxamide

6-(3-chlorophenyl)-N-phenylpyridine-2-carboxamide (PubChem CID 71087948) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-phenylpyridine-2-carboxamide
PubChem CID71087948
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name6-(3-chlorophenyl)-N-phenylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H13ClN2O/c19-14-7-4-6-13(12-14)16-10-5-11-17(21-16)18(22)20-15-8-2-1-3-9-15/h1-12H,(H,20,22)
InChIKeyOSUBLPROJVIIKK-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-phenylpyridine-2-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-N-phenylpyridine-2-carboxamide (CID 71087948) is 6-(3-chlorophenyl)-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-N-phenylpyridine-2-carboxamide is O=C(Nc1ccccc1)c1cccc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 6-(3-chlorophenyl)-N-phenylpyridine-2-carboxamide?
The InChIKey is OSUBLPROJVIIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-14-7-4-6-13(12-14)16-10-5-11-17(21-16)18(22)20-15-8-2-1-3-9-15/h1-12H,(H,20,22).
What are the key properties of 6-(3-chlorophenyl)-N-phenylpyridine-2-carboxamide?
6-(3-chlorophenyl)-N-phenylpyridine-2-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 71087948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).