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

C22H21ClN2O3 — CID 31234686

IUPAC1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C22H21ClN2O3/c1-24(13-17-8-4-6-10-20(17)28-2)22(27)18-11-12-21(26)25(15-18)14-16-7-3-5-9-19(16)23/h3-12,15H,13-14H2,1-2H3
InChIKeyPEKGVOXZSYUNQS-UHFFFAOYSA-N
MW396.87 g/mol
LogP3.83
Rot. Bonds6

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

1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide (PubChem CID 31234686) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide
PubChem CID31234686
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C22H21ClN2O3/c1-24(13-17-8-4-6-10-20(17)28-2)22(27)18-11-12-21(26)25(15-18)14-16-7-3-5-9-19(16)23/h3-12,15H,13-14H2,1-2H3
InChIKeyPEKGVOXZSYUNQS-UHFFFAOYSA-N
XLogP3.83
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide
CID 18111836
1-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 24559383
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671416
1-[(2-chlorophenyl)methyl]-N-methyl-N-(1-methylcyclobutyl)-6-oxopyridine-3-carboxamide
CID 166315489
1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 16573885
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
1-[(2-chlorophenyl)methyl]-N-(4,5-dimethoxy-2-methylphenyl)-6-oxopyridine-3-carboxamide
CID 24559729
1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide
CID 42886096
3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid
CID 120535358
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide
CID 16574268
1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide
CID 167967928

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide (CID 31234686) is 1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide is COc1ccccc1CN(C)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is PEKGVOXZSYUNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-24(13-17-8-4-6-10-20(17)28-2)22(27)18-11-12-21(26)25(15-18)14-16-7-3-5-9-19(16)23/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 396.87 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 31234686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).