4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one

C18H22N2O2 — CID 51568108

IUPAC4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one
SMILESCc1cc(NCc2ccccc2)cc(=O)n1C[C@@H]1CCCO1
InChIInChI=1S/C18H22N2O2/c1-14-10-16(19-12-15-6-3-2-4-7-15)11-18(21)20(14)13-17-8-5-9-22-17/h2-4,6-7,10-11,17,19H,5,8-9,12-13H2,1H3/t17-/m0/s1
InChIKeyMDZPQHXDBCIFHQ-KRWDZBQOSA-N
MW298.39 g/mol
LogP2.95
Rot. Bonds5

About 4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one

4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one (PubChem CID 51568108) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one
PubChem CID51568108
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one
SMILESCc1cc(NCc2ccccc2)cc(=O)n1C[C@@H]1CCCO1
InChIInChI=1S/C18H22N2O2/c1-14-10-16(19-12-15-6-3-2-4-7-15)11-18(21)20(14)13-17-8-5-9-22-17/h2-4,6-7,10-11,17,19H,5,8-9,12-13H2,1H3/t17-/m0/s1
InChIKeyMDZPQHXDBCIFHQ-KRWDZBQOSA-N
XLogP2.95
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-1,3-thiazol-2-amine
CID 2511300
6-methyl-4-[[(2S)-oxolan-2-yl]methylamino]-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 51567844
2-(4-benzylpyridin-1-ium-1-yl)-1-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone
CID 8859796
3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82466705
4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 112757079
6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82524714
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2,2-diphenylacetate
CID 2092425
[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 16564561
2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]isoindole-1,3-dione
CID 4825783
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91822604
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
5-amino-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 165482338

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one?
The IUPAC name of 4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one (CID 51568108) is 4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one is Cc1cc(NCc2ccccc2)cc(=O)n1C[C@@H]1CCCO1.
What is the InChIKey of 4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one?
The InChIKey is MDZPQHXDBCIFHQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-10-16(19-12-15-6-3-2-4-7-15)11-18(21)20(14)13-17-8-5-9-22-17/h2-4,6-7,10-11,17,19H,5,8-9,12-13H2,1H3/t17-/m0/s1.
What are the key properties of 4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one?
4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 51568108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).