5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide

C18H21N3O2 — CID 109106913

IUPAC5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2cncc(C(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-12-5-7-15(8-6-12)20-16(22)13-9-14(11-19-10-13)17(23)21-18(2,3)4/h5-11H,1-4H3,(H,20,22)(H,21,23)
InChIKeyQUSHDJZWOTYQGS-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.17
Rot. Bonds3

About 5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide

5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109106913) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109106913
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2cncc(C(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-12-5-7-15(8-6-12)20-16(22)13-9-14(11-19-10-13)17(23)21-18(2,3)4/h5-11H,1-4H3,(H,20,22)(H,21,23)
InChIKeyQUSHDJZWOTYQGS-UHFFFAOYSA-N
XLogP3.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide
CID 109106910
5-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 143173797
5-N-(4-ethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107992
5-N-(2,4-dimethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107985
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
5-(2,5-dimethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242013
5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide
CID 109106930
N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242129
5-N-tert-butyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109106923
5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109228264
5-N-(2,5-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108274
3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055991

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide (CID 109106913) is 5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide is Cc1ccc(NC(=O)c2cncc(C(=O)NC(C)(C)C)c2)cc1.
What is the InChIKey of 5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is QUSHDJZWOTYQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-5-7-15(8-6-12)20-16(22)13-9-14(11-19-10-13)17(23)21-18(2,3)4/h5-11H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide?
5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).