4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide

C23H23N5O — CID 109222360

IUPAC4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(Nc3ccc(C#N)cc3)ccn2)cc1
InChIInChI=1S/C23H23N5O/c1-3-28(4-2)21-11-9-19(10-12-21)27-23(29)22-15-20(13-14-25-22)26-18-7-5-17(16-24)6-8-18/h5-15H,3-4H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyCBLUWVQZNKDGNH-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.80
Rot. Bonds7

About 4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide

4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide (PubChem CID 109222360) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
PubChem CID109222360
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(Nc3ccc(C#N)cc3)ccn2)cc1
InChIInChI=1S/C23H23N5O/c1-3-28(4-2)21-11-9-19(10-12-21)27-23(29)22-15-20(13-14-25-22)26-18-7-5-17(16-24)6-8-18/h5-15H,3-4H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyCBLUWVQZNKDGNH-UHFFFAOYSA-N
XLogP4.80
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-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

4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219248
4-anilino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109218921
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109222335
4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109217021
N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide
CID 109221263
N-(4-cyanophenyl)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109270313
N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201674
N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
CID 109216610
N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109204867
N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109220123
4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217376

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide (CID 109222360) is 4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc(Nc3ccc(C#N)cc3)ccn2)cc1.
What is the InChIKey of 4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is CBLUWVQZNKDGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-3-28(4-2)21-11-9-19(10-12-21)27-23(29)22-15-20(13-14-25-22)26-18-7-5-17(16-24)6-8-18/h5-15H,3-4H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of 4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide?
4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109222360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).