2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C20H29N5O2 — CID 134079677

IUPAC2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)C1CC(c3ccccn3)NN1)CC2
InChIInChI=1S/C20H29N5O2/c1-2-24-14-20(7-6-18(24)26)8-11-25(12-9-20)19(27)17-13-16(22-23-17)15-5-3-4-10-21-15/h3-5,10,16-17,22-23H,2,6-9,11-14H2,1H3
InChIKeyNJYIJFMJRRGHBW-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.24
Rot. Bonds3

About 2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 134079677) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID134079677
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)C1CC(c3ccccn3)NN1)CC2
InChIInChI=1S/C20H29N5O2/c1-2-24-14-20(7-6-18(24)26)8-11-25(12-9-20)19(27)17-13-16(22-23-17)15-5-3-4-10-21-15/h3-5,10,16-17,22-23H,2,6-9,11-14H2,1H3
InChIKeyNJYIJFMJRRGHBW-UHFFFAOYSA-N
XLogP1.24
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-9-(quinoline-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72904189
2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72848278
2-ethyl-9-(4-methylpyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897107
2-(4-bromophenyl)-1-[4-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 75551224
2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97134571
8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70753899
2-benzyl-9-[(4S)-1-methyl-2-oxoimidazolidine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97135499
9-(2,2-dimethyl-1-phenylcyclopropanecarbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72912025
9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97124416
9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72886047
2-ethyl-9-[(2R)-2-(methylamino)-2-phenylacetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97126301
9-(4-methylpyrimidine-5-carbonyl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72883442

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 134079677) is 2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(C(=O)C1CC(c3ccccn3)NN1)CC2.
What is the InChIKey of 2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is NJYIJFMJRRGHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-2-24-14-20(7-6-18(24)26)8-11-25(12-9-20)19(27)17-13-16(22-23-17)15-5-3-4-10-21-15/h3-5,10,16-17,22-23H,2,6-9,11-14H2,1H3.
What are the key properties of 2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 371.49 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 134079677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).