1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide

C23H30N4O3 — CID 126721294

IUPAC1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCCN2CCCCC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C23H30N4O3/c1-24-22(29)20-15-19(17-27(23(20)30)16-18-9-4-2-5-10-18)21(28)25-11-8-14-26-12-6-3-7-13-26/h2,4-5,9-10,15,17H,3,6-8,11-14,16H2,1H3,(H,24,29)(H,25,28)
InChIKeyPKEQNDNSOIJMOR-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.86
Rot. Bonds8

About 1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide

1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide (PubChem CID 126721294) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide
PubChem CID126721294
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCCN2CCCCC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C23H30N4O3/c1-24-22(29)20-15-19(17-27(23(20)30)16-18-9-4-2-5-10-18)21(28)25-11-8-14-26-12-6-3-7-13-26/h2,4-5,9-10,15,17H,3,6-8,11-14,16H2,1H3,(H,24,29)(H,25,28)
InChIKeyPKEQNDNSOIJMOR-UHFFFAOYSA-N
XLogP1.86
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide (CID 126721294) is 1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NCCCN2CCCCC2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide?
The InChIKey is PKEQNDNSOIJMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-24-22(29)20-15-19(17-27(23(20)30)16-18-9-4-2-5-10-18)21(28)25-11-8-14-26-12-6-3-7-13-26/h2,4-5,9-10,15,17H,3,6-8,11-14,16H2,1H3,(H,24,29)(H,25,28).
What are the key properties of 1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide?
1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide has a molecular weight of 410.52 g/mol, XLogP of 1.86, 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-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 126721294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).