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

C22H20ClN3O3 — CID 30387044

IUPAC1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1
InChIInChI=1S/C22H20ClN3O3/c1-25(2)22(29)15-7-5-8-18(12-15)24-21(28)17-10-11-20(27)26(14-17)13-16-6-3-4-9-19(16)23/h3-12,14H,13H2,1-2H3,(H,24,28)
InChIKeyQVAOBZUXQWKYJL-UHFFFAOYSA-N
MW409.87 g/mol
LogP3.50
Rot. Bonds5

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

1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide (PubChem CID 30387044) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide
PubChem CID30387044
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1
InChIInChI=1S/C22H20ClN3O3/c1-25(2)22(29)15-7-5-8-18(12-15)24-21(28)17-10-11-20(27)26(14-17)13-16-6-3-4-9-19(16)23/h3-12,14H,13H2,1-2H3,(H,24,28)
InChIKeyQVAOBZUXQWKYJL-UHFFFAOYSA-N
XLogP3.50
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(3-iodophenyl)-6-oxopyridine-3-carboxamide
CID 24559544
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 46494415
1-[(2-chlorophenyl)methyl]-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 8671405
1-[(2-chlorophenyl)methyl]-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-oxopyridine-3-carboxamide
CID 112822360
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide
CID 112846111
1-[(2-chlorophenyl)methyl]-N-(4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 8671412
N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)-6-oxopyridine-3-carboxamide
CID 8698220
1-[(2-chlorophenyl)methyl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopyridine-3-carboxamide
CID 112845976
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671416
1-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 24559383
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-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide (CID 30387044) is 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide is CN(C)C(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide?
The InChIKey is QVAOBZUXQWKYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-25(2)22(29)15-7-5-8-18(12-15)24-21(28)17-10-11-20(27)26(14-17)13-16-6-3-4-9-19(16)23/h3-12,14H,13H2,1-2H3,(H,24,28).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide has a molecular weight of 409.87 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 30387044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).