2-(2-methoxyanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

C16H17N3O2 — CID 747288

IUPAC2-(2-methoxyanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(Nc2ccccc2OC)c1C#N
InChIInChI=1S/C16H17N3O2/c1-11-8-12(10-20-2)13(9-17)16(18-11)19-14-6-4-5-7-15(14)21-3/h4-8H,10H2,1-3H3,(H,18,19)
InChIKeyWNJQVQSJLPJQCE-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.16
Rot. Bonds5

About 2-(2-methoxyanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

2-(2-methoxyanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 747288) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxyanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
PubChem CID747288
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(2-methoxyanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(Nc2ccccc2OC)c1C#N
InChIInChI=1S/C16H17N3O2/c1-11-8-12(10-20-2)13(9-17)16(18-11)19-14-6-4-5-7-15(14)21-3/h4-8H,10H2,1-3H3,(H,18,19)
InChIKeyWNJQVQSJLPJQCE-UHFFFAOYSA-N
XLogP3.16
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile
CID 748928
2-(4-Methoxy-benzylamino)-4,6-dimethyl-nicotinonitrile
CID 975783
(2E)-2-cyano-3-(4-methoxyphenyl)-N-(6-methylpyridin-2-yl)prop-2-enamide
CID 5548035
2-(3,4-Dimethoxyanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 712041
2-(2-Methoxy-phenylamino)-6-methyl-quinoline-3-carbonitrile
CID 3167343
2-[5-Methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine
CID 44533055
2-(2-Methoxyanilino)-7-methyl-3-quinolinecarbonitrile
CID 865684
N-(3-cyano-4,6-dimethylpyridin-2-yl)-N-(3-methoxyphenyl)acetamide
CID 656367
2-[(2-Methoxyphenyl)amino]-4,6-dimethylpyridine-3-carboxamide
CID 748345
4-(Methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile
CID 756386
N-(3-cyano-4,6-dimethylpyridin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 886703
2-[[4-(2-Ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrile
CID 1932424

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-methoxyanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (CID 747288) is 2-(2-methoxyanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-methoxyanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-methoxyanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is COCc1cc(C)nc(Nc2ccccc2OC)c1C#N.
What is the InChIKey of 2-(2-methoxyanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is WNJQVQSJLPJQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-8-12(10-20-2)13(9-17)16(18-11)19-14-6-4-5-7-15(14)21-3/h4-8H,10H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-methoxyanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
2-(2-methoxyanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 747288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).