2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile

C15H14ClN3 — CID 55195359

IUPAC2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C15H14ClN3/c1-9-4-5-12(7-14(9)16)19-15-13(8-17)10(2)6-11(3)18-15/h4-7H,1-3H3,(H,18,19)
InChIKeyNQSQSTBSWAVEPB-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.28
Rot. Bonds2

About 2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile

2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 55195359) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID55195359
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C15H14ClN3/c1-9-4-5-12(7-14(9)16)19-15-13(8-17)10(2)6-11(3)18-15/h4-7H,1-3H3,(H,18,19)
InChIKeyNQSQSTBSWAVEPB-UHFFFAOYSA-N
XLogP4.28
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]benzoic acid
CID 60860716
2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 784964
4,6-dimethyl-2-(4-propan-2-ylanilino)pyridine-3-carbonitrile
CID 60710577
2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 706821
4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 63510093
2-(3-iodoanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 63511438
4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile
CID 61175342
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107805421
4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile
CID 61175143
2-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 750176
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 65474360

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile (CID 55195359) is 2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Nc2ccc(C)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is NQSQSTBSWAVEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-9-4-5-12(7-14(9)16)19-15-13(8-17)10(2)6-11(3)18-15/h4-7H,1-3H3,(H,18,19).
What are the key properties of 2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile?
2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 271.75 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 55195359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).