6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide

C17H20N2O — CID 175791192

IUPAC6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(-c2nc(C(C)(C)C)ccc2C(N)=O)cc1
InChIInChI=1S/C17H20N2O/c1-11-5-7-12(8-6-11)15-13(16(18)20)9-10-14(19-15)17(2,3)4/h5-10H,1-4H3,(H2,18,20)
InChIKeyYKNCJXURMHEWIB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.45
Rot. Bonds2

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

6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 175791192) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID175791192
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(-c2nc(C(C)(C)C)ccc2C(N)=O)cc1
InChIInChI=1S/C17H20N2O/c1-11-5-7-12(8-6-11)15-13(16(18)20)9-10-14(19-15)17(2,3)4/h5-10H,1-4H3,(H2,18,20)
InChIKeyYKNCJXURMHEWIB-UHFFFAOYSA-N
XLogP3.45
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide (CID 175791192) is 6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(-c2nc(C(C)(C)C)ccc2C(N)=O)cc1.
What is the InChIKey of 6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is YKNCJXURMHEWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-5-7-12(8-6-11)15-13(16(18)20)9-10-14(19-15)17(2,3)4/h5-10H,1-4H3,(H2,18,20).
What are the key properties of 6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide?
6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 175791192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).