5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide

C19H13Cl3N2O2 — CID 1482997

IUPAC5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H13Cl3N2O2/c20-15-7-6-12(8-16(15)21)10-24-11-13(9-17(22)19(24)26)18(25)23-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,23,25)
InChIKeyMEMIDRSKGNRTJB-UHFFFAOYSA-N
MW407.68 g/mol
LogP5.11
Rot. Bonds4

About 5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide

5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide (PubChem CID 1482997) has the molecular formula C19H13Cl3N2O2 and a molecular weight of 407.68 g/mol. Its IUPAC name is 5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
PubChem CID1482997
Molecular FormulaC19H13Cl3N2O2
Molecular Weight407.68 g/mol
Exact Mass406.00
IUPAC Name5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H13Cl3N2O2/c20-15-7-6-12(8-16(15)21)10-24-11-13(9-17(22)19(24)26)18(25)23-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,23,25)
InChIKeyMEMIDRSKGNRTJB-UHFFFAOYSA-N
XLogP5.11
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.68
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
CID 1486006
N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide
CID 1485997
1-[(3,4-dichlorophenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8698322
5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 2764356
1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide
CID 8698359
methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate
CID 1485992
1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide
CID 145364579
5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 1482990
1-benzyl-3-N-methyl-2-oxo-5-N-pyridazin-4-ylpyridine-3,5-dicarboxamide
CID 135341776
2-(3,4-dichlorophenyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetamide
CID 55767282
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 8698366

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide (CID 1482997) is 5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide is O=C(Nc1ccccc1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide?
The InChIKey is MEMIDRSKGNRTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2O2/c20-15-7-6-12(8-16(15)21)10-24-11-13(9-17(22)19(24)26)18(25)23-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,23,25).
What are the key properties of 5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide?
5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide has a molecular weight of 407.68 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 1482997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).