1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one

C12H20N2O2 — CID 82217974

IUPAC1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one
SMILESCCC(C)n1cc(O)c(=O)cc1CN(C)C
InChIInChI=1S/C12H20N2O2/c1-5-9(2)14-8-12(16)11(15)6-10(14)7-13(3)4/h6,8-9,16H,5,7H2,1-4H3
InChIKeyJJPVLBDCFSCYTQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.59
Rot. Bonds4

About 1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one

1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one (PubChem CID 82217974) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one
PubChem CID82217974
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one
SMILESCCC(C)n1cc(O)c(=O)cc1CN(C)C
InChIInChI=1S/C12H20N2O2/c1-5-9(2)14-8-12(16)11(15)6-10(14)7-13(3)4/h6,8-9,16H,5,7H2,1-4H3
InChIKeyJJPVLBDCFSCYTQ-UHFFFAOYSA-N
XLogP1.59
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CP 94
CID 86322
3-Hydroxy-2-methyl-1-propyl-4(1H)-pyridone
CID 121732
1-Allyl-2-methyl-3-hydroxypyrid-4-one
CID 3012091
5-Hydroxy-1,2-Dimethyl-4(1H)-Pyridinone
CID 12280547
3-Hydroxy-2-methyl-1-(propan-2-yl)-1,4-dihydropyridin-4-one
CID 10130140
5-Hydroxy-2-methyl-1-(1-methylpiperidin-4-yl)pyridin-4-one
CID 130407878
5-Hydroxy-2-methyl-1-propan-2-ylpyridin-4-one
CID 130408003
7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 155518634
2-Ethyl-3-hydroxy-1-propyl-4-pyridinone
CID 86321
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(2-propenyl)-
CID 3079582
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(1-methyle
CID 14956304
4(1H)-Pyridinone, 1-butyl-2-ethyl-3-hydroxy-
CID 14956305

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one?
The IUPAC name of 1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one (CID 82217974) is 1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one?
The canonical SMILES for 1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one is CCC(C)n1cc(O)c(=O)cc1CN(C)C.
What is the InChIKey of 1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one?
The InChIKey is JJPVLBDCFSCYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-9(2)14-8-12(16)11(15)6-10(14)7-13(3)4/h6,8-9,16H,5,7H2,1-4H3.
What are the key properties of 1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one?
1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one has a molecular weight of 224.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[(dimethylamino)methyl]-5-hydroxypyridin-4-one is sourced from PubChem (CID 82217974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).