1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide

C22H20Cl2N2O2 — CID 16602961

IUPAC1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2N2O2/c1-2-20(15-7-10-18(23)11-8-15)25-22(28)17-9-12-21(27)26(14-17)13-16-5-3-4-6-19(16)24/h3-12,14,20H,2,13H2,1H3,(H,25,28)
InChIKeyPDQXFEWGGORKGU-UHFFFAOYSA-N
MW415.32 g/mol
LogP5.08
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide (PubChem CID 16602961) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide
PubChem CID16602961
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2N2O2/c1-2-20(15-7-10-18(23)11-8-15)25-22(28)17-9-12-21(27)26(14-17)13-16-5-3-4-6-19(16)24/h3-12,14,20H,2,13H2,1H3,(H,25,28)
InChIKeyPDQXFEWGGORKGU-UHFFFAOYSA-N
XLogP5.08
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 8671405
1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 18160634
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide
CID 16574268
1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide
CID 120827036
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671416
1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide
CID 112837431
N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17467880
N-(2-chlorophenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26844026
1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119454148

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide (CID 16602961) is 1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide is CCC(NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide?
The InChIKey is PDQXFEWGGORKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c1-2-20(15-7-10-18(23)11-8-15)25-22(28)17-9-12-21(27)26(14-17)13-16-5-3-4-6-19(16)24/h3-12,14,20H,2,13H2,1H3,(H,25,28).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide has a molecular weight of 415.32 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 16602961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).