4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide

C22H27N3O3 — CID 109083331

IUPAC4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccnc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C22H27N3O3/c1-22(2,3)17-8-4-5-9-18(17)25-20(26)15-10-11-23-19(13-15)21(27)24-14-16-7-6-12-28-16/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyPMIFXRJFOROZIA-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.54
Rot. Bonds5

About 4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide

4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109083331) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109083331
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccnc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C22H27N3O3/c1-22(2,3)17-8-4-5-9-18(17)25-20(26)15-10-11-23-19(13-15)21(27)24-14-16-7-6-12-28-16/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyPMIFXRJFOROZIA-UHFFFAOYSA-N
XLogP3.54
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,6-diethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083329
4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083381
4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083312
4-N-(2,4-dimethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083355
4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081588
4-N-[(2-methylphenyl)methyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083260
4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083336
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
4-N,4-N-diethyl-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083295
4-N-(2-tert-butylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082404
5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228826

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide (CID 109083331) is 4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide is CC(C)(C)c1ccccc1NC(=O)c1ccnc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is PMIFXRJFOROZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(2,3)17-8-4-5-9-18(17)25-20(26)15-10-11-23-19(13-15)21(27)24-14-16-7-6-12-28-16/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109083331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).