3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide

C23H23N3O2 — CID 109105029

IUPAC3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cncc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C23H23N3O2/c1-16(2)18-8-10-21(11-9-18)26-23(28)20-12-19(14-24-15-20)22(27)25-13-17-6-4-3-5-7-17/h3-12,14-16H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyCIXCLHSHWYMHET-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.39
Rot. Bonds6

About 3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide

3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109105029) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109105029
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cncc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C23H23N3O2/c1-16(2)18-8-10-21(11-9-18)26-23(28)20-12-19(14-24-15-20)22(27)25-13-17-6-4-3-5-7-17/h3-12,14-16H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyCIXCLHSHWYMHET-UHFFFAOYSA-N
XLogP4.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(4-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106035
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide
CID 109105034
3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105544
3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105028
3-N-benzyl-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109105061
3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107140
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104104
3-N-benzyl-5-N-(2-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109105054
5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107855
2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255447

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide (CID 109105029) is 3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide is CC(C)c1ccc(NC(=O)c2cncc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of 3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is CIXCLHSHWYMHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16(2)18-8-10-21(11-9-18)26-23(28)20-12-19(14-24-15-20)22(27)25-13-17-6-4-3-5-7-17/h3-12,14-16H,13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).