5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide

C17H19N3O2 — CID 109106910

IUPAC5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cncc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H19N3O2/c1-17(2,3)20-16(22)13-9-12(10-18-11-13)15(21)19-14-7-5-4-6-8-14/h4-11H,1-3H3,(H,19,21)(H,20,22)
InChIKeyXQBPLADOPWUHTF-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.86
Rot. Bonds3

About 5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide

5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide (PubChem CID 109106910) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide
PubChem CID109106910
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cncc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H19N3O2/c1-17(2,3)20-16(22)13-9-12(10-18-11-13)15(21)19-14-7-5-4-6-8-14/h4-11H,1-3H3,(H,19,21)(H,20,22)
InChIKeyXQBPLADOPWUHTF-UHFFFAOYSA-N
XLogP2.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106913
5-(tert-butylamino)-N-phenylpyridine-3-carboxamide
CID 109239388
5-N-tert-butyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109106923
5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109106949
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide
CID 109106930
N,5-diphenylpyridine-3-carboxamide
CID 110683714
5-N-(2-chlorophenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107777
5-N-(2-methoxyphenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107789
N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide
CID 109239269
3-N-phenyl-5-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107800
1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056044

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide (CID 109106910) is 5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide is CC(C)(C)NC(=O)c1cncc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide?
The InChIKey is XQBPLADOPWUHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-17(2,3)20-16(22)13-9-12(10-18-11-13)15(21)19-14-7-5-4-6-8-14/h4-11H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide?
5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.86, 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-phenylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).