9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C22H24N4O3 — CID 131647681

IUPAC9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCCc1ccc(C(=O)N2CCCC3(CC(C(=O)Nc4cccnc4)=NO3)C2)cc1
InChIInChI=1S/C22H24N4O3/c1-2-16-6-8-17(9-7-16)21(28)26-12-4-10-22(15-26)13-19(25-29-22)20(27)24-18-5-3-11-23-14-18/h3,5-9,11,14H,2,4,10,12-13,15H2,1H3,(H,24,27)
InChIKeyAIAPSHOYQISWLM-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.03
Rot. Bonds4

About 9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 131647681) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID131647681
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCCc1ccc(C(=O)N2CCCC3(CC(C(=O)Nc4cccnc4)=NO3)C2)cc1
InChIInChI=1S/C22H24N4O3/c1-2-16-6-8-17(9-7-16)21(28)26-12-4-10-22(15-26)13-19(25-29-22)20(27)24-18-5-3-11-23-14-18/h3,5-9,11,14H,2,4,10,12-13,15H2,1H3,(H,24,27)
InChIKeyAIAPSHOYQISWLM-UHFFFAOYSA-N
XLogP3.03
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of 9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 131647681) is 9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for 9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for 9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is CCc1ccc(C(=O)N2CCCC3(CC(C(=O)Nc4cccnc4)=NO3)C2)cc1.
What is the InChIKey of 9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is AIAPSHOYQISWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-16-6-8-17(9-7-16)21(28)26-12-4-10-22(15-26)13-19(25-29-22)20(27)24-18-5-3-11-23-14-18/h3,5-9,11,14H,2,4,10,12-13,15H2,1H3,(H,24,27).
What are the key properties of 9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 131647681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).