4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide

C23H29N3O2 — CID 109081588

IUPAC4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccnc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C23H29N3O2/c1-23(2,3)18-11-7-8-12-19(18)26-21(27)16-13-14-24-20(15-16)22(28)25-17-9-5-4-6-10-17/h7-8,11-15,17H,4-6,9-10H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyIOHMHIKSKHYVNG-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.69
Rot. Bonds4

About 4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide

4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide (PubChem CID 109081588) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
PubChem CID109081588
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccnc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C23H29N3O2/c1-23(2,3)18-11-7-8-12-19(18)26-21(27)16-13-14-24-20(15-16)22(28)25-17-9-5-4-6-10-17/h7-8,11-15,17H,4-6,9-10H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyIOHMHIKSKHYVNG-UHFFFAOYSA-N
XLogP4.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089442
2-N-cyclohexyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109081583
methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089488
4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083331
4-N-(2-tert-butylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082404
4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109081436
4-N-(4-chloro-2-methylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081597
ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109081013
4-N-cycloheptyl-2-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089379
4-N-(4-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080960
N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090159
4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091209

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide (CID 109081588) is 4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide is CC(C)(C)c1ccccc1NC(=O)c1ccnc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide?
The InChIKey is IOHMHIKSKHYVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-23(2,3)18-11-7-8-12-19(18)26-21(27)16-13-14-24-20(15-16)22(28)25-17-9-5-4-6-10-17/h7-8,11-15,17H,4-6,9-10H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide?
4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109081588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).