N-benzyl-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide

C20H17ClN2O2 — CID 1482967

IUPACN-benzyl-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cccn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C20H17ClN2O2/c21-17-9-4-8-16(12-17)14-23-11-5-10-18(20(23)25)19(24)22-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,22,24)
InChIKeyGQINTTSVEKRFNV-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.48
Rot. Bonds5

About N-benzyl-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide

N-benzyl-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 1482967) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is N-benzyl-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID1482967
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC NameN-benzyl-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cccn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C20H17ClN2O2/c21-17-9-4-8-16(12-17)14-23-11-5-10-18(20(23)25)19(24)22-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,22,24)
InChIKeyGQINTTSVEKRFNV-UHFFFAOYSA-N
XLogP3.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 1482967) is N-benzyl-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide is O=C(NCc1ccccc1)c1cccn(Cc2cccc(Cl)c2)c1=O.
What is the InChIKey of N-benzyl-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is GQINTTSVEKRFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-17-9-4-8-16(12-17)14-23-11-5-10-18(20(23)25)19(24)22-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,22,24).
What are the key properties of N-benzyl-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-benzyl-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 1482967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).