2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide

C22H22N4O2 — CID 52936431

IUPAC2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cc(-c2ccncc2)c[nH]c1=O
InChIInChI=1S/C22H22N4O2/c27-21-20(14-17(15-24-21)16-8-10-23-11-9-16)22(28)25-18-4-6-19(7-5-18)26-12-2-1-3-13-26/h4-11,14-15H,1-3,12-13H2,(H,24,27)(H,25,28)
InChIKeyWAIOVSUPNWJFNW-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.68
Rot. Bonds4

About 2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide

2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide (PubChem CID 52936431) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide
PubChem CID52936431
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cc(-c2ccncc2)c[nH]c1=O
InChIInChI=1S/C22H22N4O2/c27-21-20(14-17(15-24-21)16-8-10-23-11-9-16)22(28)25-18-4-6-19(7-5-18)26-12-2-1-3-13-26/h4-11,14-15H,1-3,12-13H2,(H,24,27)(H,25,28)
InChIKeyWAIOVSUPNWJFNW-UHFFFAOYSA-N
XLogP3.68
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide 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 2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide (CID 52936431) is 2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(-c2ccncc2)c[nH]c1=O.
What is the InChIKey of 2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
The InChIKey is WAIOVSUPNWJFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21-20(14-17(15-24-21)16-8-10-23-11-9-16)22(28)25-18-4-6-19(7-5-18)26-12-2-1-3-13-26/h4-11,14-15H,1-3,12-13H2,(H,24,27)(H,25,28).
What are the key properties of 2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-piperidin-1-ylphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 52936431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).