2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile

C18H21N3 — CID 164912211

IUPAC2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile
SMILESCc1cc(C)cc(Nc2nc(C)c(C(C)C)cc2C#N)c1
InChIInChI=1S/C18H21N3/c1-11(2)17-9-15(10-19)18(20-14(17)5)21-16-7-12(3)6-13(4)8-16/h6-9,11H,1-5H3,(H,20,21)
InChIKeyCHCCOOHSGGEWFC-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.75
Rot. Bonds3

About 2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile

2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile (PubChem CID 164912211) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile
PubChem CID164912211
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile
SMILESCc1cc(C)cc(Nc2nc(C)c(C(C)C)cc2C#N)c1
InChIInChI=1S/C18H21N3/c1-11(2)17-9-15(10-19)18(20-14(17)5)21-16-7-12(3)6-13(4)8-16/h6-9,11H,1-5H3,(H,20,21)
InChIKeyCHCCOOHSGGEWFC-UHFFFAOYSA-N
XLogP4.75
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile
CID 164912177
4,5-di(propan-2-yl)benzene-1,2-dicarbonitrile
CID 122607615
2-(3-bromo-5-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 107583634
2-(3,5-dimethylanilino)-5-methylbenzonitrile
CID 107926938
2-[(5,6-dimethyl-3-pyridinyl)amino]-5-fluoro-6-(3-methylbutan-2-ylamino)pyridine-3-carbonitrile
CID 134187529
5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile
CID 164912172
2-hydrazinyl-5-methyl-6-propan-2-ylpyridine-3-carbonitrile
CID 62251934
5-amino-2-methyl-6-(propan-2-ylamino)pyridine-3-carbonitrile
CID 171789789
3-chloro-2-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 107057985
2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 118815705
4-(3,5-dimethylanilino)-2-(trifluoromethyl)benzonitrile
CID 43320662
5-chloro-2-(ethylamino)-6-methylpyridine-3-carbonitrile
CID 155040649

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile (CID 164912211) is 2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile is Cc1cc(C)cc(Nc2nc(C)c(C(C)C)cc2C#N)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is CHCCOOHSGGEWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-11(2)17-9-15(10-19)18(20-14(17)5)21-16-7-12(3)6-13(4)8-16/h6-9,11H,1-5H3,(H,20,21).
What are the key properties of 2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile?
2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 279.39 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 164912211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).