4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

C19H15N5O — CID 109213375

IUPAC4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESN#Cc1ccccc1Nc1ccnc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C19H15N5O/c20-12-15-3-1-2-4-17(15)24-16-7-10-22-18(11-16)19(25)23-13-14-5-8-21-9-6-14/h1-11H,13H2,(H,22,24)(H,23,25)
InChIKeyAKPZJAFECUSRKK-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.02
Rot. Bonds5

About 4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 109213375) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID109213375
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESN#Cc1ccccc1Nc1ccnc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C19H15N5O/c20-12-15-3-1-2-4-17(15)24-16-7-10-22-18(11-16)19(25)23-13-14-5-8-21-9-6-14/h1-11H,13H2,(H,22,24)(H,23,25)
InChIKeyAKPZJAFECUSRKK-UHFFFAOYSA-N
XLogP3.02
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)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-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213332
4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219127
N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
CID 109222479
4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213367
N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide
CID 109209757
4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219956
3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055249
4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213313
N-(2-cyanophenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220187
2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086782
N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
CID 109221213

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 109213375) is 4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is N#Cc1ccccc1Nc1ccnc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is AKPZJAFECUSRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-12-15-3-1-2-4-17(15)24-16-7-10-22-18(11-16)19(25)23-13-14-5-8-21-9-6-14/h1-11H,13H2,(H,22,24)(H,23,25).
What are the key properties of 4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109213375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).