4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile

C17H19N3 — CID 60704126

IUPAC4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NC(C)c2ccccc2C)n1
InChIInChI=1S/C17H19N3/c1-11-7-5-6-8-15(11)14(4)20-17-16(10-18)12(2)9-13(3)19-17/h5-9,14H,1-4H3,(H,19,20)
InChIKeyTTWPHZGOIVJBPN-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.05
Rot. Bonds3

About 4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile

4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile (PubChem CID 60704126) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
PubChem CID60704126
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NC(C)c2ccccc2C)n1
InChIInChI=1S/C17H19N3/c1-11-7-5-6-8-15(11)14(4)20-17-16(10-18)12(2)9-13(3)19-17/h5-9,14H,1-4H3,(H,19,20)
InChIKeyTTWPHZGOIVJBPN-UHFFFAOYSA-N
XLogP4.05
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 60871389
4,6-dimethyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbonitrile
CID 62840867
3,6-dimethyl-N-[1-(2-methylphenyl)ethyl]pyrazin-2-amine
CID 60703972
6-methyl-2-N-[1-(2-methylphenyl)ethyl]pyridine-2,3-diamine
CID 81132205
4,6-dimethyl-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 63612589
4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
CID 60667183
3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 71862589
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 79249172
4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile
CID 32677882
4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile
CID 106230781
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107805421

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile (CID 60704126) is 4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NC(C)c2ccccc2C)n1.
What is the InChIKey of 4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is TTWPHZGOIVJBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-11-7-5-6-8-15(11)14(4)20-17-16(10-18)12(2)9-13(3)19-17/h5-9,14H,1-4H3,(H,19,20).
What are the key properties of 4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile?
4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 60704126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).