N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide

C23H21N5O — CID 109164713

IUPACN-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(Nc3ccc(N4CCCC4)cc3)nc2)c1
InChIInChI=1S/C23H21N5O/c24-15-17-4-3-5-20(14-17)27-23(29)18-6-11-22(25-16-18)26-19-7-9-21(10-8-19)28-12-1-2-13-28/h3-11,14,16H,1-2,12-13H2,(H,25,26)(H,27,29)
InChIKeyKRTTWMNHDAMUSN-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.55
Rot. Bonds5

About N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide

N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide (PubChem CID 109164713) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
PubChem CID109164713
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(Nc3ccc(N4CCCC4)cc3)nc2)c1
InChIInChI=1S/C23H21N5O/c24-15-17-4-3-5-20(14-17)27-23(29)18-6-11-22(25-16-18)26-19-7-9-21(10-8-19)28-12-1-2-13-28/h3-11,14,16H,1-2,12-13H2,(H,25,26)(H,27,29)
InChIKeyKRTTWMNHDAMUSN-UHFFFAOYSA-N
XLogP4.55
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.55
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-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)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
6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163157
2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109178743
N-(3-cyanophenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109165005
N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159609
6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109163278
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270322
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163549
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide
CID 109178749
N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109163238
3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021056
3-cyano-N-(3-piperidin-1-ylphenyl)benzamide
CID 110362112

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide (CID 109164713) is N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide is N#Cc1cccc(NC(=O)c2ccc(Nc3ccc(N4CCCC4)cc3)nc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide?
The InChIKey is KRTTWMNHDAMUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c24-15-17-4-3-5-20(14-17)27-23(29)18-6-11-22(25-16-18)26-19-7-9-21(10-8-19)28-12-1-2-13-28/h3-11,14,16H,1-2,12-13H2,(H,25,26)(H,27,29).
What are the key properties of N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide?
N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109164713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).