2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine

C17H15N3 — CID 155166401

IUPAC2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1cccc(-c2cccnc2)c1
InChIInChI=1S/C17H15N3/c18-16-8-1-2-9-17(16)20-15-7-3-5-13(11-15)14-6-4-10-19-12-14/h1-12,20H,18H2
InChIKeyBTVQNECQVXOUDX-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.07
Rot. Bonds3

About 2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine

2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine (PubChem CID 155166401) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine
PubChem CID155166401
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1cccc(-c2cccnc2)c1
InChIInChI=1S/C17H15N3/c18-16-8-1-2-9-17(16)20-15-7-3-5-13(11-15)14-6-4-10-19-12-14/h1-12,20H,18H2
InChIKeyBTVQNECQVXOUDX-UHFFFAOYSA-N
XLogP4.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-(3-pyridin-3-ylphenyl)benzene-1,2-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

2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine
CID 18522059
1-phenyl-2-(3-pyridin-3-ylphenyl)hydrazine
CID 162041560
6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine
CID 70901072
3-pyridin-3-ylaniline;dihydrochloride
CID 21146183
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine
CID 115127653
cyclopenta[c]azepine
CID 638010
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline
CID 87419359
3-methyl-2-pyridin-3-ylaniline
CID 22482419
2,4-dipyridin-3-ylaniline
CID 46316358
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine (CID 155166401) is 2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine is Nc1ccccc1Nc1cccc(-c2cccnc2)c1.
What is the InChIKey of 2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine?
The InChIKey is BTVQNECQVXOUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c18-16-8-1-2-9-17(16)20-15-7-3-5-13(11-15)14-6-4-10-19-12-14/h1-12,20H,18H2.
What are the key properties of 2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine?
2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine has a molecular weight of 261.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 155166401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).