2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide

C24H23N5O — CID 109178743

IUPAC2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
SMILESN#Cc1cccc(Nc2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)ccn2)c1
InChIInChI=1S/C24H23N5O/c25-17-18-5-4-6-21(15-18)27-23-16-19(11-12-26-23)24(30)28-20-7-9-22(10-8-20)29-13-2-1-3-14-29/h4-12,15-16H,1-3,13-14H2,(H,26,27)(H,28,30)
InChIKeyIETHXNRJKMPJKD-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.94
Rot. Bonds5

About 2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide

2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide (PubChem CID 109178743) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
PubChem CID109178743
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
SMILESN#Cc1cccc(Nc2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)ccn2)c1
InChIInChI=1S/C24H23N5O/c25-17-18-5-4-6-21(15-18)27-23-16-19(11-12-26-23)24(30)28-20-7-9-22(10-8-20)29-13-2-1-3-14-29/h4-12,15-16H,1-3,13-14H2,(H,26,27)(H,28,30)
InChIKeyIETHXNRJKMPJKD-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'}

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Related Compounds

N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide
CID 109178749
N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109164713
N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177184
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564
N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178798
N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109246061
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177129
3-cyano-N-(3-piperidin-1-ylphenyl)benzamide
CID 110362112
N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178790
2-amino-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 110862205
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177812

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide (CID 109178743) is 2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide is N#Cc1cccc(Nc2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)ccn2)c1.
What is the InChIKey of 2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide?
The InChIKey is IETHXNRJKMPJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c25-17-18-5-4-6-21(15-18)27-23-16-19(11-12-26-23)24(30)28-20-7-9-22(10-8-20)29-13-2-1-3-14-29/h4-12,15-16H,1-3,13-14H2,(H,26,27)(H,28,30).
What are the key properties of 2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide?
2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)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 2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109178743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).