2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine

C13H14N4 — CID 91368267

IUPAC2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine
SMILESNc1ccc(-c2cc3c([nH]2)=CCC(N)N=3)cc1
InChIInChI=1S/C13H14N4/c14-9-3-1-8(2-4-9)11-7-12-10(16-11)5-6-13(15)17-12/h1-5,7,13,16H,6,14-15H2
InChIKeyNYWKZCNIYGNONA-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.35
Rot. Bonds1

About 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine

2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine (PubChem CID 91368267) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine
PubChem CID91368267
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine
SMILESNc1ccc(-c2cc3c([nH]2)=CCC(N)N=3)cc1
InChIInChI=1S/C13H14N4/c14-9-3-1-8(2-4-9)11-7-12-10(16-11)5-6-13(15)17-12/h1-5,7,13,16H,6,14-15H2
InChIKeyNYWKZCNIYGNONA-UHFFFAOYSA-N
XLogP0.35
TPSA80.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine 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-(4,5-Dihydro-1H-imidazol-2-yl)phenylamine
CID 352372
4-(1,4,5,6-Tetrahydropyrimidin-2-yl)aniline
CID 20041375
Benzenemethanamine, 4-amino-N-methyl-
CID 123471
N'-[4-(methylaminomethyl)phenyl]ethanimidamide;dihydrobromide
CID 45264819
N-(4-Aminomethyl-phenyl)-acetamidine
CID 10496245
6-[(4-Aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium
CID 3382775
N-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
CID 135508616
7-methyl-N-(4-methylphenyl)-6H-imidazo[4,5-f]quinolin-9-amine
CID 136502416
4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline
CID 239748
N-[4-(Aminomethyl)phenyl]guanidine
CID 9815299
Bis(4-aminobenzyl)amine
CID 12045161
2-Phenyl-4,6-dimethyl-1,2-dihydropyrimidine
CID 12644471

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine?
The IUPAC name of 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine (CID 91368267) is 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine.
What is the SMILES notation for 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine?
The canonical SMILES for 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine is Nc1ccc(-c2cc3c([nH]2)=CCC(N)N=3)cc1.
What is the InChIKey of 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine?
The InChIKey is NYWKZCNIYGNONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-9-3-1-8(2-4-9)11-7-12-10(16-11)5-6-13(15)17-12/h1-5,7,13,16H,6,14-15H2.
What are the key properties of 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine?
2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine has a molecular weight of 226.28 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine is sourced from PubChem (CID 91368267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).