2-N-(4-methoxyphenyl)pyridine-2,3-diamine

C12H13N3O — CID 11447232

IUPAC2-N-(4-methoxyphenyl)pyridine-2,3-diamine
SMILESCOc1ccc(Nc2ncccc2N)cc1
InChIInChI=1S/C12H13N3O/c1-16-10-6-4-9(5-7-10)15-12-11(13)3-2-8-14-12/h2-8H,13H2,1H3,(H,14,15)
InChIKeyGAKVHRACPVAOAC-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.42
Rot. Bonds3

About 2-N-(4-methoxyphenyl)pyridine-2,3-diamine

2-N-(4-methoxyphenyl)pyridine-2,3-diamine (PubChem CID 11447232) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)pyridine-2,3-diamine
PubChem CID11447232
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-N-(4-methoxyphenyl)pyridine-2,3-diamine
SMILESCOc1ccc(Nc2ncccc2N)cc1
InChIInChI=1S/C12H13N3O/c1-16-10-6-4-9(5-7-10)15-12-11(13)3-2-8-14-12/h2-8H,13H2,1H3,(H,14,15)
InChIKeyGAKVHRACPVAOAC-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

N-(2-((4-hydroxyphenyl)amino)-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 3035714
2,6-Diamino-2'-butyloxy-3,5'-azopyridine
CID 96213
N-(4-Methoxyphenyl)-N'-(2-pyridinyl)thiourea
CID 686300
1-(4-Methoxyphenyl)-1H-imidazole
CID 82328
N-[(4-methoxyphenyl)methyl]-5-nitropyridin-2-amine
CID 3455584
6-Phenoxy-3-pyridinamine
CID 212856
2-[4-(4-Methoxyphenyl)-1-piperazinyl]pyrimidine
CID 198995
4-(Pyrimidin-2-yloxy)aniline
CID 1484610
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
Bisanilinopyrimidine, 6f
CID 70702137
N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 7446717
1-(2-Methoxyphenyl)-3-(5-methylpyridin-2-yl)urea
CID 808195

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)pyridine-2,3-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)pyridine-2,3-diamine (CID 11447232) is 2-N-(4-methoxyphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)pyridine-2,3-diamine is COc1ccc(Nc2ncccc2N)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)pyridine-2,3-diamine?
The InChIKey is GAKVHRACPVAOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-10-6-4-9(5-7-10)15-12-11(13)3-2-8-14-12/h2-8H,13H2,1H3,(H,14,15).
What are the key properties of 2-N-(4-methoxyphenyl)pyridine-2,3-diamine?
2-N-(4-methoxyphenyl)pyridine-2,3-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 2-N-(4-methoxyphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 11447232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).