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

C14H17N3O — CID 113286378

IUPAC6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCc2ccc(C)cc2)n1
InChIInChI=1S/C14H17N3O/c1-10-3-5-11(6-4-10)9-16-14-12(15)7-8-13(17-14)18-2/h3-8H,9,15H2,1-2H3,(H,16,17)
InChIKeyCHPSXRJJJPEHJK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.59
Rot. Bonds4

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

6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine (PubChem CID 113286378) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine
PubChem CID113286378
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCc2ccc(C)cc2)n1
InChIInChI=1S/C14H17N3O/c1-10-3-5-11(6-4-10)9-16-14-12(15)7-8-13(17-14)18-2/h3-8H,9,15H2,1-2H3,(H,16,17)
InChIKeyCHPSXRJJJPEHJK-UHFFFAOYSA-N
XLogP2.59
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 115320291
2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
CID 81132825
6-methoxy-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 79883257
6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine
CID 113286515
6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine
CID 115320492
2-N-butyl-6-methoxypyridine-2,3-diamine
CID 115320288
2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethanol;dihydrochloride
CID 3019251
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

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine (CID 113286378) is 6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine is COc1ccc(N)c(NCc2ccc(C)cc2)n1.
What is the InChIKey of 6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine?
The InChIKey is CHPSXRJJJPEHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-3-5-11(6-4-10)9-16-14-12(15)7-8-13(17-14)18-2/h3-8H,9,15H2,1-2H3,(H,16,17).
What are the key properties of 6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine?
6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 113286378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).