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

C12H13N3O — CID 29067426

IUPAC4-N-(3-methoxyphenyl)pyridine-3,4-diamine
SMILESCOc1cccc(Nc2ccncc2N)c1
InChIInChI=1S/C12H13N3O/c1-16-10-4-2-3-9(7-10)15-12-5-6-14-8-11(12)13/h2-8H,13H2,1H3,(H,14,15)
InChIKeyOYDCIHJKETYBAW-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.42
Rot. Bonds3

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

4-N-(3-methoxyphenyl)pyridine-3,4-diamine (PubChem CID 29067426) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)pyridine-3,4-diamine
PubChem CID29067426
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-N-(3-methoxyphenyl)pyridine-3,4-diamine
SMILESCOc1cccc(Nc2ccncc2N)c1
InChIInChI=1S/C12H13N3O/c1-16-10-4-2-3-9(7-10)15-12-5-6-14-8-11(12)13/h2-8H,13H2,1H3,(H,14,15)
InChIKeyOYDCIHJKETYBAW-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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Related Compounds

4-N-(4-methoxyphenyl)pyridine-3,4-diamine
CID 13287152
6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine
CID 106947587
4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine
CID 118027357
3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
CID 63077298
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
CID 82482529
N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine
CID 66714164
2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine
CID 154647617
3-N-(4-methoxyphenyl)pyridine-3,4-diamine
CID 13441292
3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine
CID 106948986
4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine
CID 29066314
6-methoxy-2-N-(3-methoxyphenyl)pyridine-2,5-diamine
CID 43261675

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(3-methoxyphenyl)pyridine-3,4-diamine (CID 29067426) is 4-N-(3-methoxyphenyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(3-methoxyphenyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(3-methoxyphenyl)pyridine-3,4-diamine is COc1cccc(Nc2ccncc2N)c1.
What is the InChIKey of 4-N-(3-methoxyphenyl)pyridine-3,4-diamine?
The InChIKey is OYDCIHJKETYBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-10-4-2-3-9(7-10)15-12-5-6-14-8-11(12)13/h2-8H,13H2,1H3,(H,14,15).
What are the key properties of 4-N-(3-methoxyphenyl)pyridine-3,4-diamine?
4-N-(3-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-(3-methoxyphenyl)pyridine-3,4-diamine is sourced from PubChem (CID 29067426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).