2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide

C18H22N2O — CID 4731308

IUPAC2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(C(C)(C)C)c2)c1
InChIInChI=1S/C18H22N2O/c1-12-8-13(2)10-15(9-12)20-17(21)14-6-7-19-16(11-14)18(3,4)5/h6-11H,1-5H3,(H,20,21)
InChIKeyPGMMWRPSNKICNQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.25
Rot. Bonds2

About 2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide

2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide (PubChem CID 4731308) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
PubChem CID4731308
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(C(C)(C)C)c2)c1
InChIInChI=1S/C18H22N2O/c1-12-8-13(2)10-15(9-12)20-17(21)14-6-7-19-16(11-14)18(3,4)5/h6-11H,1-5H3,(H,20,21)
InChIKeyPGMMWRPSNKICNQ-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide
CID 110444823
N-(3,5-dimethylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 62167632
2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 4731310
N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024637
N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024633
2-tert-butyl-N-[4-methyl-3-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine-4-carboxamide
CID 168929975
2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide
CID 826917
2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078108
2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091966
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176712
N'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide
CID 4731414
2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085444

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide (CID 4731308) is 2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide is Cc1cc(C)cc(NC(=O)c2ccnc(C(C)(C)C)c2)c1.
What is the InChIKey of 2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide?
The InChIKey is PGMMWRPSNKICNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-8-13(2)10-15(9-12)20-17(21)14-6-7-19-16(11-14)18(3,4)5/h6-11H,1-5H3,(H,20,21).
What are the key properties of 2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide?
2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 4731308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).