6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile

C16H17N3 — CID 79749151

IUPAC6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCCc2ccccc2C)n1
InChIInChI=1S/C16H17N3/c1-12-5-3-4-6-14(12)9-10-18-16-15(11-17)8-7-13(2)19-16/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeyWTJIUABHLFONEC-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.22
Rot. Bonds4

About 6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile

6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile (PubChem CID 79749151) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
PubChem CID79749151
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCCc2ccccc2C)n1
InChIInChI=1S/C16H17N3/c1-12-5-3-4-6-14(12)9-10-18-16-15(11-17)8-7-13(2)19-16/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeyWTJIUABHLFONEC-UHFFFAOYSA-N
XLogP3.22
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile
CID 113343673
6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 55207434
6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile
CID 63964127
2-[2-(ethylamino)ethylamino]-6-methylpyridine-3-carbonitrile
CID 62664814
2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile
CID 130504273
6-methyl-2-(octylamino)pyridine-3-carbonitrile
CID 113337282
6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile
CID 62663569
2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile
CID 106842221
5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 31536211
6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile
CID 107488727
2-[2-(2-methylphenyl)ethylamino]-3-nitropyridine-4-carbonitrile
CID 80711333
2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 32682078

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile (CID 79749151) is 6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile is Cc1ccc(C#N)c(NCCc2ccccc2C)n1.
What is the InChIKey of 6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is WTJIUABHLFONEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-5-3-4-6-14(12)9-10-18-16-15(11-17)8-7-13(2)19-16/h3-8H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile?
6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 79749151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).