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

C21H24N2O4 — CID 158191283

IUPAC5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc(C(C)O)c2)c1=O
InChIInChI=1S/C21H24N2O4/c1-13(24)16-5-3-4-15(8-16)11-23-12-17(19(25)9-14-6-7-14)10-18(21(23)27)20(26)22-2/h3-5,8,10,12-14,24H,6-7,9,11H2,1-2H3,(H,22,26)
InChIKeyFZUAOMXUZANUOK-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.29
Rot. Bonds7

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

5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 158191283) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID158191283
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc(C(C)O)c2)c1=O
InChIInChI=1S/C21H24N2O4/c1-13(24)16-5-3-4-15(8-16)11-23-12-17(19(25)9-14-6-7-14)10-18(21(23)27)20(26)22-2/h3-5,8,10,12-14,24H,6-7,9,11H2,1-2H3,(H,22,26)
InChIKeyFZUAOMXUZANUOK-UHFFFAOYSA-N
XLogP2.29
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-N-cyclopropyl-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538194
1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 158224841
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
5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 160649778
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
5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 158748068
5-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648895

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide (CID 158191283) is 5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc(C(C)O)c2)c1=O.
What is the InChIKey of 5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is FZUAOMXUZANUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13(24)16-5-3-4-15(8-16)11-23-12-17(19(25)9-14-6-7-14)10-18(21(23)27)20(26)22-2/h3-5,8,10,12-14,24H,6-7,9,11H2,1-2H3,(H,22,26).
What are the key properties of 5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide?
5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 158191283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).