3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one

C15H24N2O4 — CID 82217634

IUPAC3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(C)CCO)n1CC1CCCO1
InChIInChI=1S/C15H24N2O4/c1-11-8-14(19)15(20)13(10-16(2)5-6-18)17(11)9-12-4-3-7-21-12/h8,12,18,20H,3-7,9-10H2,1-2H3
InChIKeyUDZFYQMWOHFTSW-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.47
Rot. Bonds6

About 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one

3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one (PubChem CID 82217634) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one
PubChem CID82217634
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(C)CCO)n1CC1CCCO1
InChIInChI=1S/C15H24N2O4/c1-11-8-14(19)15(20)13(10-16(2)5-6-18)17(11)9-12-4-3-7-21-12/h8,12,18,20H,3-7,9-10H2,1-2H3
InChIKeyUDZFYQMWOHFTSW-UHFFFAOYSA-N
XLogP0.47
TPSA74.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 112757079
3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82466705
N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide
CID 45246236
5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 79356056
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91822604
4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one
CID 124853578
N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979
6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 126857529
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]acetonitrile
CID 116791254
N-[(Z)-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]methylideneamino]cyclopropanecarboxamide
CID 9234360
(E)-2-cyano-3-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]prop-2-enoate
CID 2416311

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one (CID 82217634) is 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one is Cc1cc(=O)c(O)c(CN(C)CCO)n1CC1CCCO1.
What is the InChIKey of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one?
The InChIKey is UDZFYQMWOHFTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11-8-14(19)15(20)13(10-16(2)5-6-18)17(11)9-12-4-3-7-21-12/h8,12,18,20H,3-7,9-10H2,1-2H3.
What are the key properties of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one?
3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one has a molecular weight of 296.37 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).