N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide

C24H23N5O — CID 109178749

IUPACN-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(Nc3ccc(N4CCCCC4)cc3)c2)cc1
InChIInChI=1S/C24H23N5O/c25-17-18-4-6-21(7-5-18)28-24(30)19-12-13-26-23(16-19)27-20-8-10-22(11-9-20)29-14-2-1-3-15-29/h4-13,16H,1-3,14-15H2,(H,26,27)(H,28,30)
InChIKeyBEUFULRDBHRAPR-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.94
Rot. Bonds5

About N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide

N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide (PubChem CID 109178749) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide
PubChem CID109178749
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(Nc3ccc(N4CCCCC4)cc3)c2)cc1
InChIInChI=1S/C24H23N5O/c25-17-18-4-6-21(7-5-18)28-24(30)19-12-13-26-23(16-19)27-20-8-10-22(11-9-20)29-14-2-1-3-15-29/h4-13,16H,1-3,14-15H2,(H,26,27)(H,28,30)
InChIKeyBEUFULRDBHRAPR-UHFFFAOYSA-N
XLogP4.94
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109178743
N-(4-cyanophenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109359625
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270322
5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246057
piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone
CID 109166180
2-amino-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 110862205
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109318438
N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide
CID 109178212
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109178731
2-(4-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177130
2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyridine-4-carboxamide
CID 109179026

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide (CID 109178749) is N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide is N#Cc1ccc(NC(=O)c2ccnc(Nc3ccc(N4CCCCC4)cc3)c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide?
The InChIKey is BEUFULRDBHRAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c25-17-18-4-6-21(7-5-18)28-24(30)19-12-13-26-23(16-19)27-20-8-10-22(11-9-20)29-14-2-1-3-15-29/h4-13,16H,1-3,14-15H2,(H,26,27)(H,28,30).
What are the key properties of N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide?
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109178749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).