2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C17H23N3O3 — CID 70780066

IUPAC2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)c3ccnc(OC)c3)CC2)CC1=O
InChIInChI=1S/C17H23N3O3/c1-3-19-12-17(11-15(19)21)5-8-20(9-6-17)16(22)13-4-7-18-14(10-13)23-2/h4,7,10H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyAYRSGHXLEQGLFF-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.56
Rot. Bonds3

About 2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70780066) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70780066
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)c3ccnc(OC)c3)CC2)CC1=O
InChIInChI=1S/C17H23N3O3/c1-3-19-12-17(11-15(19)21)5-8-20(9-6-17)16(22)13-4-7-18-14(10-13)23-2/h4,7,10H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyAYRSGHXLEQGLFF-UHFFFAOYSA-N
XLogP1.56
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-8-[3-(1H-imidazol-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72928212
3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56715208
2-[(4-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131691683
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 138384370
8-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70728690
[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone
CID 72870237
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
8-(2-methoxypyridine-4-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72871159
(4R)-8-(2-methoxypyridine-4-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97123973
8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70754635
2-ethyl-8-(5-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155870146

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 70780066) is 2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(C(=O)c3ccnc(OC)c3)CC2)CC1=O.
What is the InChIKey of 2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is AYRSGHXLEQGLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-19-12-17(11-15(19)21)5-8-20(9-6-17)16(22)13-4-7-18-14(10-13)23-2/h4,7,10H,3,5-6,8-9,11-12H2,1-2H3.
What are the key properties of 2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 317.39 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70780066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).