1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide

C24H31N3O3 — CID 159534697

IUPAC1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCC2CCN(C)CC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C24H31N3O3/c1-25-23(29)21-15-20(17-27(24(21)30)16-19-7-4-3-5-8-19)22(28)10-6-9-18-11-13-26(2)14-12-18/h3-5,7-8,15,17-18H,6,9-14,16H2,1-2H3,(H,25,29)
InChIKeyMDLDBLGPYKGBBI-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.95
Rot. Bonds8

About 1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide

1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide (PubChem CID 159534697) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide
PubChem CID159534697
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCC2CCN(C)CC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C24H31N3O3/c1-25-23(29)21-15-20(17-27(24(21)30)16-19-7-4-3-5-8-19)22(28)10-6-9-18-11-13-26(2)14-12-18/h3-5,7-8,15,17-18H,6,9-14,16H2,1-2H3,(H,25,29)
InChIKeyMDLDBLGPYKGBBI-UHFFFAOYSA-N
XLogP2.95
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 148828457
1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide
CID 126721311
1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide
CID 157088108
1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
CID 160654627
5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 160649778
1-benzyl-5-N-[3-[1-(2-fluoroethyl)piperidin-4-yl]propyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126739590
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
CID 158142498
5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 145279448
5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride
CID 159507544
1-benzyl-N-methyl-2-oxo-5-[4-(1H-pyrazol-5-yl)butanoyl]pyridine-3-carboxamide
CID 158183554
1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one
CID 158087137
tert-butyl 4-[5-[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-5-oxopentyl]piperidine-1-carboxylate
CID 146732787

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide (CID 159534697) is 1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CCCC2CCN(C)CC2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide?
The InChIKey is MDLDBLGPYKGBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-25-23(29)21-15-20(17-27(24(21)30)16-19-7-4-3-5-8-19)22(28)10-6-9-18-11-13-26(2)14-12-18/h3-5,7-8,15,17-18H,6,9-14,16H2,1-2H3,(H,25,29).
What are the key properties of 1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide?
1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 159534697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).