2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one

C14H18N4O3 — CID 146040645

IUPAC2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCCOc1ncccc1C(=O)N1CC2(CNC(=O)N2C)C1
InChIInChI=1S/C14H18N4O3/c1-3-21-11-10(5-4-6-15-11)12(19)18-8-14(9-18)7-16-13(20)17(14)2/h4-6H,3,7-9H2,1-2H3,(H,16,20)
InChIKeyOTDHFLBREXJRHN-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.33
Rot. Bonds3

About 2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one

2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one (PubChem CID 146040645) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
PubChem CID146040645
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCCOc1ncccc1C(=O)N1CC2(CNC(=O)N2C)C1
InChIInChI=1S/C14H18N4O3/c1-3-21-11-10(5-4-6-15-11)12(19)18-8-14(9-18)7-16-13(20)17(14)2/h4-6H,3,7-9H2,1-2H3,(H,16,20)
InChIKeyOTDHFLBREXJRHN-UHFFFAOYSA-N
XLogP0.33
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R)-8-(2-ethoxypyridine-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97131052
(2-ethoxy-3-pyridinyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone
CID 146043149
8-(2-ethoxypyridine-3-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70757089
(3,3-difluoroazetidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 122269321
7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175644513
1-(2-ethoxypyridine-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808630
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 70780005
[4-(benzenesulfonyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 2114420
1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
CID 156603768
4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239609
(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone
CID 121146196
3-cyclopentyl-1-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134020986

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The IUPAC name of 2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one (CID 146040645) is 2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one is CCOc1ncccc1C(=O)N1CC2(CNC(=O)N2C)C1.
What is the InChIKey of 2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The InChIKey is OTDHFLBREXJRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-3-21-11-10(5-4-6-15-11)12(19)18-8-14(9-18)7-16-13(20)17(14)2/h4-6H,3,7-9H2,1-2H3,(H,16,20).
What are the key properties of 2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one has a molecular weight of 290.32 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one is sourced from PubChem (CID 146040645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).