1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one

C19H29N3O3 — CID 171911181

IUPAC1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2CCC3(CC2)CC(O)CN(C)C3)c1=O
InChIInChI=1S/C19H29N3O3/c1-4-22-14(2)5-6-16(18(22)25)17(24)21-9-7-19(8-10-21)11-15(23)12-20(3)13-19/h5-6,15,23H,4,7-13H2,1-3H3
InChIKeyLXZGMQYHPLDHEK-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.10
Rot. Bonds2

About 1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one

1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one (PubChem CID 171911181) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one
PubChem CID171911181
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2CCC3(CC2)CC(O)CN(C)C3)c1=O
InChIInChI=1S/C19H29N3O3/c1-4-22-14(2)5-6-16(18(22)25)17(24)21-9-7-19(8-10-21)11-15(23)12-20(3)13-19/h5-6,15,23H,4,7-13H2,1-3H3
InChIKeyLXZGMQYHPLDHEK-UHFFFAOYSA-N
XLogP1.10
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one
CID 70717837
(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 171913809
3-[(4S)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one
CID 126451422
1-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-(4-methylphenoxy)ethanone
CID 171907543
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 176500182
1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one
CID 119061996
N-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide
CID 171915570
(1-ethyl-5-methylpyrazol-4-yl)-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97199126
1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 126448084
3-[(4aR,7aS)-1-acetyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carbonyl]-1-ethyl-6-methylpyridin-2-one
CID 70761854
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one
CID 56891876
(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone
CID 128591808

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one (CID 171911181) is 1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one is CCn1c(C)ccc(C(=O)N2CCC3(CC2)CC(O)CN(C)C3)c1=O.
What is the InChIKey of 1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one?
The InChIKey is LXZGMQYHPLDHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-22-14(2)5-6-16(18(22)25)17(24)21-9-7-19(8-10-21)11-15(23)12-20(3)13-19/h5-6,15,23H,4,7-13H2,1-3H3.
What are the key properties of 1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one?
1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one has a molecular weight of 347.46 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one is sourced from PubChem (CID 171911181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).