4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide

C25H32N2O3 — CID 92612247

IUPAC4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide
SMILESCc1cc(C)cc(C2(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)CCOCC2)c1
InChIInChI=1S/C25H32N2O3/c1-19-14-20(2)16-21(15-19)25(8-12-29-13-9-25)24(28)27(18-23-7-5-11-30-23)17-22-6-3-4-10-26-22/h3-4,6,10,14-16,23H,5,7-9,11-13,17-18H2,1-2H3/t23-/m1/s1
InChIKeyZXSYIYFZYWGCNW-HSZRJFAPSA-N
MW408.54 g/mol
LogP3.95
Rot. Bonds6

About 4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide

4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide (PubChem CID 92612247) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide
PubChem CID92612247
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide
SMILESCc1cc(C)cc(C2(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)CCOCC2)c1
InChIInChI=1S/C25H32N2O3/c1-19-14-20(2)16-21(15-19)25(8-12-29-13-9-25)24(28)27(18-23-7-5-11-30-23)17-22-6-3-4-10-26-22/h3-4,6,10,14-16,23H,5,7-9,11-13,17-18H2,1-2H3/t23-/m1/s1
InChIKeyZXSYIYFZYWGCNW-HSZRJFAPSA-N
XLogP3.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide with MolForge

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Related Compounds

1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 131911633
6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
CID 99953564
2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
CID 96577763
1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 46979247
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 47000481
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 96574084
3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46978882
4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 92613637
3,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 171672352
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 92614370

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide (CID 92612247) is 4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide is Cc1cc(C)cc(C2(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)CCOCC2)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide?
The InChIKey is ZXSYIYFZYWGCNW-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-19-14-20(2)16-21(15-19)25(8-12-29-13-9-25)24(28)27(18-23-7-5-11-30-23)17-22-6-3-4-10-26-22/h3-4,6,10,14-16,23H,5,7-9,11-13,17-18H2,1-2H3/t23-/m1/s1.
What are the key properties of 4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide?
4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 92612247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).