1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide

C19H15ClN2O2 — CID 1482971

IUPAC1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C19H15ClN2O2/c20-16-6-4-5-14(11-16)12-22-13-15(9-10-18(22)23)19(24)21-17-7-2-1-3-8-17/h1-11,13H,12H2,(H,21,24)
InChIKeyWEBULCBOBCSZTI-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.80
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide

1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide (PubChem CID 1482971) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
PubChem CID1482971
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C19H15ClN2O2/c20-16-6-4-5-14(11-16)12-22-13-15(9-10-18(22)23)19(24)21-17-7-2-1-3-8-17/h1-11,13H,12H2,(H,21,24)
InChIKeyWEBULCBOBCSZTI-UHFFFAOYSA-N
XLogP3.80
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide (CID 1482971) is 1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide?
The InChIKey is WEBULCBOBCSZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-16-6-4-5-14(11-16)12-22-13-15(9-10-18(22)23)19(24)21-17-7-2-1-3-8-17/h1-11,13H,12H2,(H,21,24).
What are the key properties of 1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide?
1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide has a molecular weight of 338.79 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 1482971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).