1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide

C24H32N4O3 — CID 126721311

IUPAC1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCCC2CCN(C)CC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C24H32N4O3/c1-25-23(30)21-15-20(17-28(24(21)31)16-19-7-4-3-5-8-19)22(29)26-12-6-9-18-10-13-27(2)14-11-18/h3-5,7-8,15,17-18H,6,9-14,16H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyKTXXFNMSTOHKFE-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.11
Rot. Bonds8

About 1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide

1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide (PubChem CID 126721311) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide
PubChem CID126721311
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCCC2CCN(C)CC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C24H32N4O3/c1-25-23(30)21-15-20(17-28(24(21)31)16-19-7-4-3-5-8-19)22(29)26-12-6-9-18-10-13-27(2)14-11-18/h3-5,7-8,15,17-18H,6,9-14,16H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyKTXXFNMSTOHKFE-UHFFFAOYSA-N
XLogP2.11
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-5-N-[3-[1-(2-fluoroethyl)piperidin-4-yl]propyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126739590
1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide
CID 159534697
5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 145279448
1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide
CID 163805471
3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid
CID 135341859
1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide
CID 126721294
1-benzyl-5-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126721346
4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid
CID 126721258
5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 148828457
tert-butyl 2-[3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]morpholine-4-carboxylate
CID 126721219
3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid
CID 126721348
1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
CID 160654627

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide (CID 126721311) is 1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NCCCC2CCN(C)CC2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is KTXXFNMSTOHKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-25-23(30)21-15-20(17-28(24(21)31)16-19-7-4-3-5-8-19)22(29)26-12-6-9-18-10-13-27(2)14-11-18/h3-5,7-8,15,17-18H,6,9-14,16H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide?
1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 424.55 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 126721311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).