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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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).