3-N-(4-methylphenyl)pyridine-3,4-diamine

C12H13N3 — CID 13441291

IUPAC3-N-(4-methylphenyl)pyridine-3,4-diamine
SMILESCc1ccc(Nc2cnccc2N)cc1
InChIInChI=1S/C12H13N3/c1-9-2-4-10(5-3-9)15-12-8-14-7-6-11(12)13/h2-8,15H,1H3,(H2,13,14)
InChIKeyCIJVZYIRYAQMBM-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.72
Rot. Bonds2

About 3-N-(4-methylphenyl)pyridine-3,4-diamine

3-N-(4-methylphenyl)pyridine-3,4-diamine (PubChem CID 13441291) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-N-(4-methylphenyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-(4-methylphenyl)pyridine-3,4-diamine
PubChem CID13441291
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-N-(4-methylphenyl)pyridine-3,4-diamine
SMILESCc1ccc(Nc2cnccc2N)cc1
InChIInChI=1S/C12H13N3/c1-9-2-4-10(5-3-9)15-12-8-14-7-6-11(12)13/h2-8,15H,1H3,(H2,13,14)
InChIKeyCIJVZYIRYAQMBM-UHFFFAOYSA-N
XLogP2.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methylphenyl)pyridine-3,4-diamine?
The IUPAC name of 3-N-(4-methylphenyl)pyridine-3,4-diamine (CID 13441291) is 3-N-(4-methylphenyl)pyridine-3,4-diamine.
What is the SMILES notation for 3-N-(4-methylphenyl)pyridine-3,4-diamine?
The canonical SMILES for 3-N-(4-methylphenyl)pyridine-3,4-diamine is Cc1ccc(Nc2cnccc2N)cc1.
What is the InChIKey of 3-N-(4-methylphenyl)pyridine-3,4-diamine?
The InChIKey is CIJVZYIRYAQMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9-2-4-10(5-3-9)15-12-8-14-7-6-11(12)13/h2-8,15H,1H3,(H2,13,14).
What are the key properties of 3-N-(4-methylphenyl)pyridine-3,4-diamine?
3-N-(4-methylphenyl)pyridine-3,4-diamine has a molecular weight of 199.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methylphenyl)pyridine-3,4-diamine is sourced from PubChem (CID 13441291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).