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

C12H13N3O — CID 13287152

IUPAC4-N-(4-methoxyphenyl)pyridine-3,4-diamine
SMILESCOc1ccc(Nc2ccncc2N)cc1
InChIInChI=1S/C12H13N3O/c1-16-10-4-2-9(3-5-10)15-12-6-7-14-8-11(12)13/h2-8H,13H2,1H3,(H,14,15)
InChIKeyYPSPZODVPIEJQB-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.42
Rot. Bonds3

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

4-N-(4-methoxyphenyl)pyridine-3,4-diamine (PubChem CID 13287152) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)pyridine-3,4-diamine
PubChem CID13287152
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-N-(4-methoxyphenyl)pyridine-3,4-diamine
SMILESCOc1ccc(Nc2ccncc2N)cc1
InChIInChI=1S/C12H13N3O/c1-16-10-4-2-9(3-5-10)15-12-6-7-14-8-11(12)13/h2-8H,13H2,1H3,(H,14,15)
InChIKeyYPSPZODVPIEJQB-UHFFFAOYSA-N
XLogP2.42
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)pyridine-3,4-diamine (CID 13287152) is 4-N-(4-methoxyphenyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)pyridine-3,4-diamine is COc1ccc(Nc2ccncc2N)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)pyridine-3,4-diamine?
The InChIKey is YPSPZODVPIEJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-10-4-2-9(3-5-10)15-12-6-7-14-8-11(12)13/h2-8H,13H2,1H3,(H,14,15).
What are the key properties of 4-N-(4-methoxyphenyl)pyridine-3,4-diamine?
4-N-(4-methoxyphenyl)pyridine-3,4-diamine has a molecular weight of 215.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)pyridine-3,4-diamine is sourced from PubChem (CID 13287152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).