4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile

C18H20N2 — CID 145160538

IUPAC4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C(C)(C)C)c(C#N)c(C)n2)cc1
InChIInChI=1S/C18H20N2/c1-12-6-8-14(9-7-12)17-10-16(18(3,4)5)15(11-19)13(2)20-17/h6-10H,1-5H3
InChIKeyPZQFTCYLMKOJFA-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.53
Rot. Bonds1

About 4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile

4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 145160538) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID145160538
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C(C)(C)C)c(C#N)c(C)n2)cc1
InChIInChI=1S/C18H20N2/c1-12-6-8-14(9-7-12)17-10-16(18(3,4)5)15(11-19)13(2)20-17/h6-10H,1-5H3
InChIKeyPZQFTCYLMKOJFA-UHFFFAOYSA-N
XLogP4.53
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile (CID 145160538) is 4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile is Cc1ccc(-c2cc(C(C)(C)C)c(C#N)c(C)n2)cc1.
What is the InChIKey of 4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is PZQFTCYLMKOJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-12-6-8-14(9-7-12)17-10-16(18(3,4)5)15(11-19)13(2)20-17/h6-10H,1-5H3.
What are the key properties of 4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile?
4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 264.37 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 145160538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).