5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide

C19H12Cl4N2O2 — CID 3766196

IUPAC5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(Cl)cn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C19H12Cl4N2O2/c20-12-3-1-2-11(6-12)9-25-10-14(22)7-15(19(25)27)18(26)24-17-5-4-13(21)8-16(17)23/h1-8,10H,9H2,(H,24,26)
InChIKeyQNPSCVXQZJJTNR-UHFFFAOYSA-N
MW442.13 g/mol
LogP5.76
Rot. Bonds4

About 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide

5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 3766196) has the molecular formula C19H12Cl4N2O2 and a molecular weight of 442.13 g/mol. Its IUPAC name is 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID3766196
Molecular FormulaC19H12Cl4N2O2
Molecular Weight442.13 g/mol
Exact Mass439.97
IUPAC Name5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(Cl)cn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C19H12Cl4N2O2/c20-12-3-1-2-11(6-12)9-25-10-14(22)7-15(19(25)27)18(26)24-17-5-4-13(21)8-16(17)23/h1-8,10H,9H2,(H,24,26)
InChIKeyQNPSCVXQZJJTNR-UHFFFAOYSA-N
XLogP5.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.13
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582715
1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid
CID 2764352
5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 2764356
5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 1482990
1-[(3-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 8670922
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599167
1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599052
5-chloro-1-[(3-chlorophenyl)methyl]-N-[6-[(4-ethylpyrimidin-2-yl)amino]hex-3-ynyl]-2-oxopyridine-3-carboxamide
CID 134185437
1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599112
1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 158224841
N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599190

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide (CID 3766196) is 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cc(Cl)cn(Cc2cccc(Cl)c2)c1=O.
What is the InChIKey of 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is QNPSCVXQZJJTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl4N2O2/c20-12-3-1-2-11(6-12)9-25-10-14(22)7-15(19(25)27)18(26)24-17-5-4-13(21)8-16(17)23/h1-8,10H,9H2,(H,24,26).
What are the key properties of 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide?
5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 442.13 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 3766196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).