2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile

C15H15N3O2 — CID 856329

IUPAC2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(C)nc(N)c2C#N)cc1OC
InChIInChI=1S/C15H15N3O2/c1-9-6-11(12(8-16)15(17)18-9)10-4-5-13(19-2)14(7-10)20-3/h4-7H,1-3H3,(H2,17,18)
InChIKeyNEFRJPIJDUYADK-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.53
Rot. Bonds3

About 2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile

2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile (PubChem CID 856329) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile
PubChem CID856329
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(C)nc(N)c2C#N)cc1OC
InChIInChI=1S/C15H15N3O2/c1-9-6-11(12(8-16)15(17)18-9)10-4-5-13(19-2)14(7-10)20-3/h4-7H,1-3H3,(H2,17,18)
InChIKeyNEFRJPIJDUYADK-UHFFFAOYSA-N
XLogP2.53
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 116646948
2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 856280
2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 136691533
2-amino-6-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 4632984
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile
CID 3395714
2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile
CID 4632780
2-amino-6-(3,4-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3502077
4-amino-2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 106951390
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 5119915
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile
CID 3379851
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-fluorophenyl)pyridine-3-carbonitrile
CID 3360582

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile (CID 856329) is 2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile is COc1ccc(-c2cc(C)nc(N)c2C#N)cc1OC.
What is the InChIKey of 2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is NEFRJPIJDUYADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-6-11(12(8-16)15(17)18-9)10-4-5-13(19-2)14(7-10)20-3/h4-7H,1-3H3,(H2,17,18).
What are the key properties of 2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile?
2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 856329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).