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

C21H24N2O3 — CID 153186266

IUPAC5-(2-cyclopropylacetyl)-N-methyl-1-[1-(2-methylphenyl)ethyl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(C(C)c2ccccc2C)c1=O
InChIInChI=1S/C21H24N2O3/c1-13-6-4-5-7-17(13)14(2)23-12-16(19(24)10-15-8-9-15)11-18(21(23)26)20(25)22-3/h4-7,11-12,14-15H,8-10H2,1-3H3,(H,22,25)
InChIKeyWHDGJGSMXFYYOX-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.11
Rot. Bonds6

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

5-(2-cyclopropylacetyl)-N-methyl-1-[1-(2-methylphenyl)ethyl]-2-oxopyridine-3-carboxamide (PubChem CID 153186266) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 5-(2-cyclopropylacetyl)-N-methyl-1-[1-(2-methylphenyl)ethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyclopropylacetyl)-N-methyl-1-[1-(2-methylphenyl)ethyl]-2-oxopyridine-3-carboxamide
PubChem CID153186266
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name5-(2-cyclopropylacetyl)-N-methyl-1-[1-(2-methylphenyl)ethyl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(C(C)c2ccccc2C)c1=O
InChIInChI=1S/C21H24N2O3/c1-13-6-4-5-7-17(13)14(2)23-12-16(19(24)10-15-8-9-15)11-18(21(23)26)20(25)22-3/h4-7,11-12,14-15H,8-10H2,1-3H3,(H,22,25)
InChIKeyWHDGJGSMXFYYOX-UHFFFAOYSA-N
XLogP3.11
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-(2-methylphenyl)ethyl]-2-oxopyridine-3,5-dicarboxamide
CID 139538107
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
1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 158224841
5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 160751472
5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 158748068
5-(2-cyclobutylacetyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 161360458
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-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 158670228
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
N-methyl-5-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 160757758

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylacetyl)-N-methyl-1-[1-(2-methylphenyl)ethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-(2-cyclopropylacetyl)-N-methyl-1-[1-(2-methylphenyl)ethyl]-2-oxopyridine-3-carboxamide (CID 153186266) is 5-(2-cyclopropylacetyl)-N-methyl-1-[1-(2-methylphenyl)ethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyclopropylacetyl)-N-methyl-1-[1-(2-methylphenyl)ethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyclopropylacetyl)-N-methyl-1-[1-(2-methylphenyl)ethyl]-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CC2CC2)cn(C(C)c2ccccc2C)c1=O.
What is the InChIKey of 5-(2-cyclopropylacetyl)-N-methyl-1-[1-(2-methylphenyl)ethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is WHDGJGSMXFYYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-6-4-5-7-17(13)14(2)23-12-16(19(24)10-15-8-9-15)11-18(21(23)26)20(25)22-3/h4-7,11-12,14-15H,8-10H2,1-3H3,(H,22,25).
What are the key properties of 5-(2-cyclopropylacetyl)-N-methyl-1-[1-(2-methylphenyl)ethyl]-2-oxopyridine-3-carboxamide?
5-(2-cyclopropylacetyl)-N-methyl-1-[1-(2-methylphenyl)ethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylacetyl)-N-methyl-1-[1-(2-methylphenyl)ethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 153186266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).