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

C12H13N3O — CID 13441292

IUPAC3-N-(4-methoxyphenyl)pyridine-3,4-diamine
SMILESCOc1ccc(Nc2cnccc2N)cc1
InChIInChI=1S/C12H13N3O/c1-16-10-4-2-9(3-5-10)15-12-8-14-7-6-11(12)13/h2-8,15H,1H3,(H2,13,14)
InChIKeyDWHWKSJTJATPRG-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.42
Rot. Bonds3

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

3-N-(4-methoxyphenyl)pyridine-3,4-diamine (PubChem CID 13441292) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-N-(4-methoxyphenyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-(4-methoxyphenyl)pyridine-3,4-diamine
PubChem CID13441292
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-N-(4-methoxyphenyl)pyridine-3,4-diamine
SMILESCOc1ccc(Nc2cnccc2N)cc1
InChIInChI=1S/C12H13N3O/c1-16-10-4-2-9(3-5-10)15-12-8-14-7-6-11(12)13/h2-8,15H,1H3,(H2,13,14)
InChIKeyDWHWKSJTJATPRG-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
3-N-(4-methylphenyl)pyridine-3,4-diamine
CID 13441291
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate
CID 178174217
4-N-(4-ethoxyphenyl)pyridine-3,4-diamine
CID 29066417
4-N-(3-methoxyphenyl)pyridine-3,4-diamine
CID 29067426
4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine
CID 118027357
4-N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 43518501
3,5-difluoro-1-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 113325112
2-amino-5-(4-methoxyanilino)-1H-pyrimidin-6-one
CID 91621943
N-(4-methoxyphenyl)-1,2,4-triazin-3-amine
CID 130015647
3-(2-methylhydrazinyl)pyridin-4-amine
CID 123266008

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methoxyphenyl)pyridine-3,4-diamine?
The IUPAC name of 3-N-(4-methoxyphenyl)pyridine-3,4-diamine (CID 13441292) is 3-N-(4-methoxyphenyl)pyridine-3,4-diamine.
What is the SMILES notation for 3-N-(4-methoxyphenyl)pyridine-3,4-diamine?
The canonical SMILES for 3-N-(4-methoxyphenyl)pyridine-3,4-diamine is COc1ccc(Nc2cnccc2N)cc1.
What is the InChIKey of 3-N-(4-methoxyphenyl)pyridine-3,4-diamine?
The InChIKey is DWHWKSJTJATPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-10-4-2-9(3-5-10)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-methoxyphenyl)pyridine-3,4-diamine?
3-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 3-N-(4-methoxyphenyl)pyridine-3,4-diamine is sourced from PubChem (CID 13441292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).