5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

C24H23N5O — CID 109246057

IUPAC5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(Nc2cncc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)cc1
InChIInChI=1S/C24H23N5O/c25-15-18-4-6-20(7-5-18)27-22-14-19(16-26-17-22)24(30)28-21-8-10-23(11-9-21)29-12-2-1-3-13-29/h4-11,14,16-17,27H,1-3,12-13H2,(H,28,30)
InChIKeyCYFGCDUANQRFLJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.94
Rot. Bonds5

About 5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 109246057) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID109246057
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(Nc2cncc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)cc1
InChIInChI=1S/C24H23N5O/c25-15-18-4-6-20(7-5-18)27-22-14-19(16-26-17-22)24(30)28-21-8-10-23(11-9-21)29-12-2-1-3-13-29/h4-11,14,16-17,27H,1-3,12-13H2,(H,28,30)
InChIKeyCYFGCDUANQRFLJ-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 5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)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

Related Compounds

N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109246061
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270322
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide
CID 109178749
4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109241313
N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109244496
5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246036
5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109243207
N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109246309
5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109245265
5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109196949

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (CID 109246057) is 5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is N#Cc1ccc(Nc2cncc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)cc1.
What is the InChIKey of 5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is CYFGCDUANQRFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c25-15-18-4-6-20(7-5-18)27-22-14-19(16-26-17-22)24(30)28-21-8-10-23(11-9-21)29-12-2-1-3-13-29/h4-11,14,16-17,27H,1-3,12-13H2,(H,28,30).
What are the key properties of 5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-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 5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109246057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).