6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyridine-3-carboxamide

C22H20N8O — CID 129192188

IUPAC6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyridine-3-carboxamide
SMILES[H]/N=C/C=N\Nc1cccc(Nc2nc(NCc3ccccc3)c(C#N)cc2C(N)=O)c1
InChIInChI=1S/C22H20N8O/c23-9-10-27-30-18-8-4-7-17(12-18)28-22-19(20(25)31)11-16(13-24)21(29-22)26-14-15-5-2-1-3-6-15/h1-12,23,30H,14H2,(H2,25,31)(H2,26,28,29)/b23-9+,27-10-
InChIKeyCJKDXRPULZOHEM-MGRVGVCDSA-N
MW412.46 g/mol
LogP3.46
Rot. Bonds9

About 6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyridine-3-carboxamide

6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyridine-3-carboxamide (PubChem CID 129192188) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is 6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyridine-3-carboxamide
PubChem CID129192188
Molecular FormulaC22H20N8O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyridine-3-carboxamide
SMILES[H]/N=C/C=N\Nc1cccc(Nc2nc(NCc3ccccc3)c(C#N)cc2C(N)=O)c1
InChIInChI=1S/C22H20N8O/c23-9-10-27-30-18-8-4-7-17(12-18)28-22-19(20(25)31)11-16(13-24)21(29-22)26-14-15-5-2-1-3-6-15/h1-12,23,30H,14H2,(H2,25,31)(H2,26,28,29)/b23-9+,27-10-
InChIKeyCJKDXRPULZOHEM-MGRVGVCDSA-N
XLogP3.46
TPSA152.07 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]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

7-(((1R,2S)-2-Aminocyclohexyl)amino)-4-oxo-5-(m-tolylamino)-3,4-dihydropyrido[3,4-d]pyridazine-8-carbonitrile
CID 138393287
6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide
CID 69284028
N-phenyl-2-[(2-phenylethyl)amino]nicotinamide
CID 714469
6-Anilino-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyridine-3-carboxamide
CID 137632228
6-[(2-Aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide
CID 9949798
2-[3-[4-(2-cyanophenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10500734
6-((1R,2S)-2-aminocyclohexylamino)-2-(m-tolylamino)nicotinamide
CID 44565885
6-Anilino-4-(benzylamino)pyridine-3-carboxamide
CID 58450666
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 67775149
7-[(2-aminocyclohexyl)amino]-5-(3-methylanilino)-3H-pyrido[3,4-d]pyridazin-4-one
CID 155524475
5-Cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide
CID 155524823
6-[[(1R,2R)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide
CID 155534288

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyridine-3-carboxamide?
The IUPAC name of 6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyridine-3-carboxamide (CID 129192188) is 6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyridine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyridine-3-carboxamide is [H]/N=C/C=N\Nc1cccc(Nc2nc(NCc3ccccc3)c(C#N)cc2C(N)=O)c1.
What is the InChIKey of 6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyridine-3-carboxamide?
The InChIKey is CJKDXRPULZOHEM-MGRVGVCDSA-N. The full InChI is InChI=1S/C22H20N8O/c23-9-10-27-30-18-8-4-7-17(12-18)28-22-19(20(25)31)11-16(13-24)21(29-22)26-14-15-5-2-1-3-6-15/h1-12,23,30H,14H2,(H2,25,31)(H2,26,28,29)/b23-9+,27-10-.
What are the key properties of 6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyridine-3-carboxamide?
6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyridine-3-carboxamide has a molecular weight of 412.46 g/mol, XLogP of 3.46, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-5-cyano-2-[3-[(2Z)-2-(2-iminoethylidene)hydrazinyl]anilino]pyridine-3-carboxamide is sourced from PubChem (CID 129192188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).