6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine

C14H17N3O2 — CID 115320291

IUPAC6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine
SMILESCOc1ccc(CNc2nc(OC)ccc2N)cc1
InChIInChI=1S/C14H17N3O2/c1-18-11-5-3-10(4-6-11)9-16-14-12(15)7-8-13(17-14)19-2/h3-8H,9,15H2,1-2H3,(H,16,17)
InChIKeyMLUWOBJYDRBGGJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.29
Rot. Bonds5

About 6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine

6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine (PubChem CID 115320291) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine
PubChem CID115320291
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine
SMILESCOc1ccc(CNc2nc(OC)ccc2N)cc1
InChIInChI=1S/C14H17N3O2/c1-18-11-5-3-10(4-6-11)9-16-14-12(15)7-8-13(17-14)19-2/h3-8H,9,15H2,1-2H3,(H,16,17)
InChIKeyMLUWOBJYDRBGGJ-UHFFFAOYSA-N
XLogP2.29
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine
CID 113286378
2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
CID 81132825
6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine
CID 115320492
2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethanol;dihydrochloride
CID 3019251
2-N-butyl-6-methoxypyridine-2,3-diamine
CID 115320288
6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine
CID 113286515
6-methoxy-2-N-(2-methylprop-2-enyl)pyridine-2,3-diamine
CID 114615186
6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 115320795
6-methoxy-2-N-methylpyridine-2,3-diamine;hydrochloride
CID 22731600
6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 115320787
2-N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxypyridine-2,3-diamine
CID 103291754
2-N-[(5-bromo-2-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine
CID 115320495

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine (CID 115320291) is 6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine is COc1ccc(CNc2nc(OC)ccc2N)cc1.
What is the InChIKey of 6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine?
The InChIKey is MLUWOBJYDRBGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-11-5-3-10(4-6-11)9-16-14-12(15)7-8-13(17-14)19-2/h3-8H,9,15H2,1-2H3,(H,16,17).
What are the key properties of 6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine?
6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine has a molecular weight of 259.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 115320291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).