4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine

C18H17N3 — CID 69371289

IUPAC4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine
SMILESNc1nccc(Cc2ccc(-c3ccccc3)cc2)c1N
InChIInChI=1S/C18H17N3/c19-17-16(10-11-21-18(17)20)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12,19H2,(H2,20,21)
InChIKeyCFOKVVSDSJUZJU-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.50
Rot. Bonds3

About 4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine

4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine (PubChem CID 69371289) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine
PubChem CID69371289
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine
SMILESNc1nccc(Cc2ccc(-c3ccccc3)cc2)c1N
InChIInChI=1S/C18H17N3/c19-17-16(10-11-21-18(17)20)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12,19H2,(H2,20,21)
InChIKeyCFOKVVSDSJUZJU-UHFFFAOYSA-N
XLogP3.50
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine?
The IUPAC name of 4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine (CID 69371289) is 4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine is Nc1nccc(Cc2ccc(-c3ccccc3)cc2)c1N.
What is the InChIKey of 4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine?
The InChIKey is CFOKVVSDSJUZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c19-17-16(10-11-21-18(17)20)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12,19H2,(H2,20,21).
What are the key properties of 4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine?
4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine has a molecular weight of 275.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 69371289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).