2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile

C15H12N4 — CID 107805463

IUPAC2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2cccc(C)c2C#N)n1
InChIInChI=1S/C15H12N4/c1-10-4-3-5-14(13(10)9-17)19-15-7-12(8-16)6-11(2)18-15/h3-7H,1-2H3,(H,18,19)
InChIKeyJYFAMXKAXDIDPY-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.19
Rot. Bonds2

About 2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile

2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile (PubChem CID 107805463) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile
PubChem CID107805463
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2cccc(C)c2C#N)n1
InChIInChI=1S/C15H12N4/c1-10-4-3-5-14(13(10)9-17)19-15-7-12(8-16)6-11(2)18-15/h3-7H,1-2H3,(H,18,19)
InChIKeyJYFAMXKAXDIDPY-UHFFFAOYSA-N
XLogP3.19
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002705
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107802085
2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107805421
2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107805419
2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114257428
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107800146
2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002700
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107801851
2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114765717
2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766691
2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766611

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile (CID 107805463) is 2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(Nc2cccc(C)c2C#N)n1.
What is the InChIKey of 2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile?
The InChIKey is JYFAMXKAXDIDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-10-4-3-5-14(13(10)9-17)19-15-7-12(8-16)6-11(2)18-15/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile?
2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 107805463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).