4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide

C22H27N3O2 — CID 109081436

IUPAC4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(C(=O)NC2CCCCC2)ccn1
InChIInChI=1S/C22H27N3O2/c1-15(2)18-10-6-7-11-19(18)25-22(27)20-14-16(12-13-23-20)21(26)24-17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyDTTXYBUJSAXLLF-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.52
Rot. Bonds5

About 4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide

4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109081436) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109081436
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(C(=O)NC2CCCCC2)ccn1
InChIInChI=1S/C22H27N3O2/c1-15(2)18-10-6-7-11-19(18)25-22(27)20-14-16(12-13-23-20)21(26)24-17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyDTTXYBUJSAXLLF-UHFFFAOYSA-N
XLogP4.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cyclohexyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109081583
4-N-cycloheptyl-2-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089379
2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089442
4-N-cyclopentyl-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109080780
4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081588
methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089488
2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109079471
4-N-cyclohexyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109081429
4-N-cyclohexyl-2-N-(2,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109081485
4-N-(3,4-difluorophenyl)-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092464
2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109080128
2-N-methyl-2-N-phenyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109091478

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide (CID 109081436) is 4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide is CC(C)c1ccccc1NC(=O)c1cc(C(=O)NC2CCCCC2)ccn1.
What is the InChIKey of 4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is DTTXYBUJSAXLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15(2)18-10-6-7-11-19(18)25-22(27)20-14-16(12-13-23-20)21(26)24-17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109081436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).