1-butan-2-yl-2-(diethylaminomethyl)-5-hydroxypyridin-4-one

C14H24N2O2 — CID 82217969

IUPAC1-butan-2-yl-2-(diethylaminomethyl)-5-hydroxypyridin-4-one
SMILESCCC(C)n1cc(O)c(=O)cc1CN(CC)CC
InChIInChI=1S/C14H24N2O2/c1-5-11(4)16-10-14(18)13(17)8-12(16)9-15(6-2)7-3/h8,10-11,18H,5-7,9H2,1-4H3
InChIKeyRTVZYQHVCIZMKF-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.37
Rot. Bonds6

About 1-butan-2-yl-2-(diethylaminomethyl)-5-hydroxypyridin-4-one

1-butan-2-yl-2-(diethylaminomethyl)-5-hydroxypyridin-4-one (PubChem CID 82217969) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-butan-2-yl-2-(diethylaminomethyl)-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-2-(diethylaminomethyl)-5-hydroxypyridin-4-one
PubChem CID82217969
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-butan-2-yl-2-(diethylaminomethyl)-5-hydroxypyridin-4-one
SMILESCCC(C)n1cc(O)c(=O)cc1CN(CC)CC
InChIInChI=1S/C14H24N2O2/c1-5-11(4)16-10-14(18)13(17)8-12(16)9-15(6-2)7-3/h8,10-11,18H,5-7,9H2,1-4H3
InChIKeyRTVZYQHVCIZMKF-UHFFFAOYSA-N
XLogP2.37
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.37
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-(diethylaminomethyl)-5-hydroxypyridin-4-one?
The IUPAC name of 1-butan-2-yl-2-(diethylaminomethyl)-5-hydroxypyridin-4-one (CID 82217969) is 1-butan-2-yl-2-(diethylaminomethyl)-5-hydroxypyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-2-(diethylaminomethyl)-5-hydroxypyridin-4-one?
The canonical SMILES for 1-butan-2-yl-2-(diethylaminomethyl)-5-hydroxypyridin-4-one is CCC(C)n1cc(O)c(=O)cc1CN(CC)CC.
What is the InChIKey of 1-butan-2-yl-2-(diethylaminomethyl)-5-hydroxypyridin-4-one?
The InChIKey is RTVZYQHVCIZMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-11(4)16-10-14(18)13(17)8-12(16)9-15(6-2)7-3/h8,10-11,18H,5-7,9H2,1-4H3.
What are the key properties of 1-butan-2-yl-2-(diethylaminomethyl)-5-hydroxypyridin-4-one?
1-butan-2-yl-2-(diethylaminomethyl)-5-hydroxypyridin-4-one has a molecular weight of 252.36 g/mol, XLogP of 2.37, 6 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-(diethylaminomethyl)-5-hydroxypyridin-4-one is sourced from PubChem (CID 82217969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).