2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide

C18H22N2O2 — CID 4731310

IUPAC2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C18H22N2O2/c1-12-6-7-15(22-5)14(10-12)20-17(21)13-8-9-19-16(11-13)18(2,3)4/h6-11H,1-5H3,(H,20,21)
InChIKeyKNEYASSUUDFDMY-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.95
Rot. Bonds3

About 2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide

2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide (PubChem CID 4731310) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
PubChem CID4731310
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C18H22N2O2/c1-12-6-7-15(22-5)14(10-12)20-17(21)13-8-9-19-16(11-13)18(2,3)4/h6-11H,1-5H3,(H,20,21)
InChIKeyKNEYASSUUDFDMY-UHFFFAOYSA-N
XLogP3.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-tert-butyl-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089176
2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 112521184
2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109176772
4-N-(4-chlorophenyl)-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109092862
2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 4731308
ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521186
2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109090766
4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109217002
N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide
CID 109178240
4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089696
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide
CID 103754736

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide (CID 4731310) is 2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide is COc1ccc(C)cc1NC(=O)c1ccnc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?
The InChIKey is KNEYASSUUDFDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-6-7-15(22-5)14(10-12)20-17(21)13-8-9-19-16(11-13)18(2,3)4/h6-11H,1-5H3,(H,20,21).
What are the key properties of 2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?
2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 4731310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).