2-N-(2-benzylphenyl)pyridine-2,5-diamine

C18H17N3 — CID 29067045

IUPAC2-N-(2-benzylphenyl)pyridine-2,5-diamine
SMILESNc1ccc(Nc2ccccc2Cc2ccccc2)nc1
InChIInChI=1S/C18H17N3/c19-16-10-11-18(20-13-16)21-17-9-5-4-8-15(17)12-14-6-2-1-3-7-14/h1-11,13H,12,19H2,(H,20,21)
InChIKeyBXUDJXQRVRTTMS-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.00
Rot. Bonds4

About 2-N-(2-benzylphenyl)pyridine-2,5-diamine

2-N-(2-benzylphenyl)pyridine-2,5-diamine (PubChem CID 29067045) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-N-(2-benzylphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-benzylphenyl)pyridine-2,5-diamine
PubChem CID29067045
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-N-(2-benzylphenyl)pyridine-2,5-diamine
SMILESNc1ccc(Nc2ccccc2Cc2ccccc2)nc1
InChIInChI=1S/C18H17N3/c19-16-10-11-18(20-13-16)21-17-9-5-4-8-15(17)12-14-6-2-1-3-7-14/h1-11,13H,12,19H2,(H,20,21)
InChIKeyBXUDJXQRVRTTMS-UHFFFAOYSA-N
XLogP4.00
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_no_alk_A(1)', 'substructure': 'N/A'}

Analyze 2-N-(2-benzylphenyl)pyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-benzylphenyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-(2-benzylphenyl)pyridine-2,5-diamine (CID 29067045) is 2-N-(2-benzylphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-benzylphenyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-benzylphenyl)pyridine-2,5-diamine is Nc1ccc(Nc2ccccc2Cc2ccccc2)nc1.
What is the InChIKey of 2-N-(2-benzylphenyl)pyridine-2,5-diamine?
The InChIKey is BXUDJXQRVRTTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c19-16-10-11-18(20-13-16)21-17-9-5-4-8-15(17)12-14-6-2-1-3-7-14/h1-11,13H,12,19H2,(H,20,21).
What are the key properties of 2-N-(2-benzylphenyl)pyridine-2,5-diamine?
2-N-(2-benzylphenyl)pyridine-2,5-diamine has a molecular weight of 275.36 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-benzylphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 29067045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).