5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide

C26H34N4O3 — CID 145279448

IUPAC5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
SMILESC=C(NCCCC1CCN(C(C)=O)CC1)c1cc(C(=O)NC)c(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C26H34N4O3/c1-19(28-13-7-10-21-11-14-29(15-12-21)20(2)31)23-16-24(25(32)27-3)26(33)30(18-23)17-22-8-5-4-6-9-22/h4-6,8-9,16,18,21,28H,1,7,10-15,17H2,2-3H3,(H,27,32)
InChIKeyISNYXJUXUANLJR-UHFFFAOYSA-N
MW450.58 g/mol
LogP2.86
Rot. Bonds9

About 5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide

5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 145279448) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID145279448
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
SMILESC=C(NCCCC1CCN(C(C)=O)CC1)c1cc(C(=O)NC)c(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C26H34N4O3/c1-19(28-13-7-10-21-11-14-29(15-12-21)20(2)31)23-16-24(25(32)27-3)26(33)30(18-23)17-22-8-5-4-6-9-22/h4-6,8-9,16,18,21,28H,1,7,10-15,17H2,2-3H3,(H,27,32)
InChIKeyISNYXJUXUANLJR-UHFFFAOYSA-N
XLogP2.86
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 52.86
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

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-5-N-[3-[1-(2-fluoroethyl)piperidin-4-yl]propyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126739590
4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid
CID 126721258
1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide
CID 159534697
3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid
CID 135341859
1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide
CID 163805471
1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
CID 160654627
1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide
CID 126721294
1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide
CID 157088108
3-[2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethoxy]pyrrolidine-1-carboxylic acid
CID 126721348
tert-butyl 2-[3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]morpholine-4-carboxylate
CID 126721219

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide (CID 145279448) is 5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide is C=C(NCCCC1CCN(C(C)=O)CC1)c1cc(C(=O)NC)c(=O)n(Cc2ccccc2)c1.
What is the InChIKey of 5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is ISNYXJUXUANLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-19(28-13-7-10-21-11-14-29(15-12-21)20(2)31)23-16-24(25(32)27-3)26(33)30(18-23)17-22-8-5-4-6-9-22/h4-6,8-9,16,18,21,28H,1,7,10-15,17H2,2-3H3,(H,27,32).
What are the key properties of 5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide?
5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 145279448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).