1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide

C19H19ClN2O3 — CID 158224841

IUPAC1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C19H19ClN2O3/c1-21-18(24)16-9-14(17(23)8-12-5-6-12)11-22(19(16)25)10-13-3-2-4-15(20)7-13/h2-4,7,9,11-12H,5-6,8,10H2,1H3,(H,21,24)
InChIKeyGDRCGULXOJBRDD-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.89
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide

1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 158224841) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID158224841
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C19H19ClN2O3/c1-21-18(24)16-9-14(17(23)8-12-5-6-12)11-22(19(16)25)10-13-3-2-4-15(20)7-13/h2-4,7,9,11-12H,5-6,8,10H2,1H3,(H,21,24)
InChIKeyGDRCGULXOJBRDD-UHFFFAOYSA-N
XLogP2.89
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 158191284
5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 158191283
5-(2-cyclobutylacetyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 161360458
N-methyl-5-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 160757758
5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 161288744
5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 160751472
1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 160864005
1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide
CID 158863344
1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
CID 160654627
1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 159311932
5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 158748068
5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 160649778

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide (CID 158224841) is 1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc(Cl)c2)c1=O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is GDRCGULXOJBRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-21-18(24)16-9-14(17(23)8-12-5-6-12)11-22(19(16)25)10-13-3-2-4-15(20)7-13/h2-4,7,9,11-12H,5-6,8,10H2,1H3,(H,21,24).
What are the key properties of 1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide?
1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 158224841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).