4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine

C17H17N5 — CID 167009507

IUPAC4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine
SMILESCc1cnc(Nc2ccccn2)cc1Nc1ccccc1N
InChIInChI=1S/C17H17N5/c1-12-11-20-17(22-16-8-4-5-9-19-16)10-15(12)21-14-7-3-2-6-13(14)18/h2-11H,18H2,1H3,(H2,19,20,21,22)
InChIKeyNZKKWCHJXDOTHR-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.85
Rot. Bonds4

About 4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine

4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine (PubChem CID 167009507) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine
PubChem CID167009507
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine
SMILESCc1cnc(Nc2ccccn2)cc1Nc1ccccc1N
InChIInChI=1S/C17H17N5/c1-12-11-20-17(22-16-8-4-5-9-19-16)10-15(12)21-14-7-3-2-6-13(14)18/h2-11H,18H2,1H3,(H2,19,20,21,22)
InChIKeyNZKKWCHJXDOTHR-UHFFFAOYSA-N
XLogP3.85
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine 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

6-methyl-4-N-pyridin-2-ylpyridine-3,4-diamine
CID 90408825
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
2-bromopyridine;4,5-dimethylbenzene-1,2-diamine;4,5-dimethyl-1-N,2-N-dipyridin-2-ylbenzene-1,2-diamine
CID 159991797
4-methyl-2-N-phenylpyridine-2,5-diamine
CID 79002285
2-N-(2-methoxyphenyl)-5-methylpyridine-2,4-diamine
CID 83265211
2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide
CID 117076911
2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 29067178
2-N-pyridin-2-ylpyridine-2,3,5-triamine
CID 21436318
2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine
CID 115028788
4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine
CID 107643430
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22547243

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine?
The IUPAC name of 4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine (CID 167009507) is 4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine?
The canonical SMILES for 4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine is Cc1cnc(Nc2ccccn2)cc1Nc1ccccc1N.
What is the InChIKey of 4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine?
The InChIKey is NZKKWCHJXDOTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-12-11-20-17(22-16-8-4-5-9-19-16)10-15(12)21-14-7-3-2-6-13(14)18/h2-11H,18H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine?
4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine is sourced from PubChem (CID 167009507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).