2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine

C14H17N3O — CID 66279303

IUPAC2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine
SMILESCOc1cccc(CNc2ncc(C)cc2N)c1
InChIInChI=1S/C14H17N3O/c1-10-6-13(15)14(16-8-10)17-9-11-4-3-5-12(7-11)18-2/h3-8H,9,15H2,1-2H3,(H,16,17)
InChIKeyXWFJLQNHZYMZIP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.59
Rot. Bonds4

About 2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine

2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine (PubChem CID 66279303) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine
PubChem CID66279303
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine
SMILESCOc1cccc(CNc2ncc(C)cc2N)c1
InChIInChI=1S/C14H17N3O/c1-10-6-13(15)14(16-8-10)17-9-11-4-3-5-12(7-11)18-2/h3-8H,9,15H2,1-2H3,(H,16,17)
InChIKeyXWFJLQNHZYMZIP-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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Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine (CID 66279303) is 2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine is COc1cccc(CNc2ncc(C)cc2N)c1.
What is the InChIKey of 2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine?
The InChIKey is XWFJLQNHZYMZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-6-13(15)14(16-8-10)17-9-11-4-3-5-12(7-11)18-2/h3-8H,9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine?
2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-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 2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine is sourced from PubChem (CID 66279303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).