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

C23H23N3O2 — CID 109105028

IUPAC3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H23N3O2/c1-16(2)20-10-6-7-11-21(20)26-23(28)19-12-18(14-24-15-19)22(27)25-13-17-8-4-3-5-9-17/h3-12,14-16H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyFRYKLEBBEHQGNP-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.39
Rot. Bonds6

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

3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109105028) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109105028
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H23N3O2/c1-16(2)20-10-6-7-11-21(20)26-23(28)19-12-18(14-24-15-19)22(27)25-13-17-8-4-3-5-9-17/h3-12,14-16H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyFRYKLEBBEHQGNP-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

3-N-benzyl-5-N-(2-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109105054
3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105029
3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109105048
5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109233210
1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054696
5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109234113
N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109232282
5-(diethylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109238915
3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109105042
3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
CID 109105080
5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109225408
3-N-(4-methoxyphenyl)-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109108597

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide (CID 109105028) is 3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide is CC(C)c1ccccc1NC(=O)c1cncc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is FRYKLEBBEHQGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16(2)20-10-6-7-11-21(20)26-23(28)19-12-18(14-24-15-19)22(27)25-13-17-8-4-3-5-9-17/h3-12,14-16H,13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
3-N-benzyl-5-N-(2-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-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).