7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C21H24N4O3 — CID 175644513

IUPAC7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCOc1ncccc1C(=O)N1CCC2(CCN(Cc3ccccn3)C2=O)C1
InChIInChI=1S/C21H24N4O3/c1-2-28-18-17(7-5-11-23-18)19(26)25-13-9-21(15-25)8-12-24(20(21)27)14-16-6-3-4-10-22-16/h3-7,10-11H,2,8-9,12-15H2,1H3
InChIKeyGBBIPMYQWGLIFP-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.14
Rot. Bonds5

About 7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175644513) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175644513
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCOc1ncccc1C(=O)N1CCC2(CCN(Cc3ccccn3)C2=O)C1
InChIInChI=1S/C21H24N4O3/c1-2-28-18-17(7-5-11-23-18)19(26)25-13-9-21(15-25)8-12-24(20(21)27)14-16-6-3-4-10-22-16/h3-7,10-11H,2,8-9,12-15H2,1H3
InChIKeyGBBIPMYQWGLIFP-UHFFFAOYSA-N
XLogP2.14
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642186
7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641918
N,N-dimethyl-1-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 97370311
7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641736
7-(cyclopropylmethyl)-2-(2-methoxypyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45237711
7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641553
2-(pyridin-2-ylmethyl)-7-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175644757
7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176506532
2-(pyridin-2-ylmethyl)-7-(pyrrolidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 118745254
7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645098
2-(pyridin-2-ylmethyl)-7-(4-thiophen-2-ylbutanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642803
(5R)-2-[(6-methyl-2-pyridinyl)methyl]-9-(pyridine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97372107

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175644513) is 7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is CCOc1ncccc1C(=O)N1CCC2(CCN(Cc3ccccn3)C2=O)C1.
What is the InChIKey of 7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is GBBIPMYQWGLIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-2-28-18-17(7-5-11-23-18)19(26)25-13-9-21(15-25)8-12-24(20(21)27)14-16-6-3-4-10-22-16/h3-7,10-11H,2,8-9,12-15H2,1H3.
What are the key properties of 7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 380.45 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175644513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).