2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile

C16H17N3O2 — CID 4633482

IUPAC2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
SMILESCOc1cccc(-c2c(C)c(C)nc(N)c2C#N)c1OC
InChIInChI=1S/C16H17N3O2/c1-9-10(2)19-16(18)12(8-17)14(9)11-6-5-7-13(20-3)15(11)21-4/h5-7H,1-4H3,(H2,18,19)
InChIKeyZVPLLNCBYNHZRQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.84
Rot. Bonds3

About 2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile

2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile (PubChem CID 4633482) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
PubChem CID4633482
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
SMILESCOc1cccc(-c2c(C)c(C)nc(N)c2C#N)c1OC
InChIInChI=1S/C16H17N3O2/c1-9-10(2)19-16(18)12(8-17)14(9)11-6-5-7-13(20-3)15(11)21-4/h5-7H,1-4H3,(H2,18,19)
InChIKeyZVPLLNCBYNHZRQ-UHFFFAOYSA-N
XLogP2.84
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
CID 6491041
2-amino-4-(2,6-dichlorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633995
2-amino-6-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322467
2-amino-6-methoxy-4-(2,3,4-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 6491035
2-amino-4-(4-hydroxy-3-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 856296
2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 5117523
2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3395715
2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 932580
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
CID 3721414
6-amino-3-methyl-1-phenyl-4-(2,3,4-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4896111
2-amino-4-(2-chlorophenyl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 4636440

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile (CID 4633482) is 2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile is COc1cccc(-c2c(C)c(C)nc(N)c2C#N)c1OC.
What is the InChIKey of 2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ZVPLLNCBYNHZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-9-10(2)19-16(18)12(8-17)14(9)11-6-5-7-13(20-3)15(11)21-4/h5-7H,1-4H3,(H2,18,19).
What are the key properties of 2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile?
2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 4633482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).