N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide

C24H23N5O — CID 109246061

IUPACN-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cncc(Nc3ccc(N4CCCCC4)cc3)c2)c1
InChIInChI=1S/C24H23N5O/c25-15-18-5-4-6-21(13-18)28-24(30)19-14-22(17-26-16-19)27-20-7-9-23(10-8-20)29-11-2-1-3-12-29/h4-10,13-14,16-17,27H,1-3,11-12H2,(H,28,30)
InChIKeyDBDROEPNSYWLBL-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.94
Rot. Bonds5

About N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide

N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide (PubChem CID 109246061) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
PubChem CID109246061
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cncc(Nc3ccc(N4CCCCC4)cc3)c2)c1
InChIInChI=1S/C24H23N5O/c25-15-18-5-4-6-21(13-18)28-24(30)19-14-22(17-26-16-19)27-20-7-9-23(10-8-20)29-11-2-1-3-12-29/h4-10,13-14,16-17,27H,1-3,11-12H2,(H,28,30)
InChIKeyDBDROEPNSYWLBL-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

5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246057
N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109244496
N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109164713
5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246036
N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109178743
5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109243207
5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109245265
3-cyano-N-(3-piperidin-1-ylphenyl)benzamide
CID 110362112
N-(3-cyanophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226989

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide (CID 109246061) is N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide is N#Cc1cccc(NC(=O)c2cncc(Nc3ccc(N4CCCCC4)cc3)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
The InChIKey is DBDROEPNSYWLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c25-15-18-5-4-6-21(13-18)28-24(30)19-14-22(17-26-16-19)27-20-7-9-23(10-8-20)29-11-2-1-3-12-29/h4-10,13-14,16-17,27H,1-3,11-12H2,(H,28,30).
What are the key properties of N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)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 N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109246061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).