3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one

C21H28N2O3 — CID 124907184

IUPAC3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one
SMILESCc1c[nH]c(CN(CCOc2ccccc2)C[C@@H]2CCCO2)c(C)c1=O
InChIInChI=1S/C21H28N2O3/c1-16-13-22-20(17(2)21(16)24)15-23(14-19-9-6-11-25-19)10-12-26-18-7-4-3-5-8-18/h3-5,7-8,13,19H,6,9-12,14-15H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyDQSXKQLCPPOWJE-IBGZPJMESA-N
MW356.47 g/mol
LogP3.05
Rot. Bonds8

About 3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one

3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one (PubChem CID 124907184) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one
PubChem CID124907184
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one
SMILESCc1c[nH]c(CN(CCOc2ccccc2)C[C@@H]2CCCO2)c(C)c1=O
InChIInChI=1S/C21H28N2O3/c1-16-13-22-20(17(2)21(16)24)15-23(14-19-9-6-11-25-19)10-12-26-18-7-4-3-5-8-18/h3-5,7-8,13,19H,6,9-12,14-15H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyDQSXKQLCPPOWJE-IBGZPJMESA-N
XLogP3.05
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one with MolForge

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Related Compounds

3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one
CID 135112625
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyethanamine
CID 134696986
3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 126428019
2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
CID 97204039
2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)benzamide
CID 131916616
1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide
CID 164631306
(2R)-1-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 129428443
N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide
CID 131937852
1-[2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 61434391
2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 99947009
3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione
CID 135115719
N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61014418

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one?
The IUPAC name of 3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one (CID 124907184) is 3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one?
The canonical SMILES for 3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one is Cc1c[nH]c(CN(CCOc2ccccc2)C[C@@H]2CCCO2)c(C)c1=O.
What is the InChIKey of 3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one?
The InChIKey is DQSXKQLCPPOWJE-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16-13-22-20(17(2)21(16)24)15-23(14-19-9-6-11-25-19)10-12-26-18-7-4-3-5-8-18/h3-5,7-8,13,19H,6,9-12,14-15H2,1-2H3,(H,22,24)/t19-/m0/s1.
What are the key properties of 3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one?
3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one has a molecular weight of 356.47 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 124907184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).