3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid

C19H22N2O6 — CID 120700227

IUPAC3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)(C(=O)O)C1(C)C
InChIInChI=1S/C19H22N2O6/c1-4-26-14-10-19(17(24)25,18(14,2)3)21-16(23)11-7-8-12(20-15(11)22)13-6-5-9-27-13/h5-9,14H,4,10H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyWIOIWDYYNPRIMY-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.02
Rot. Bonds6

About 3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid

3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 120700227) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID120700227
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)(C(=O)O)C1(C)C
InChIInChI=1S/C19H22N2O6/c1-4-26-14-10-19(17(24)25,18(14,2)3)21-16(23)11-7-8-12(20-15(11)22)13-6-5-9-27-13/h5-9,14H,4,10H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyWIOIWDYYNPRIMY-UHFFFAOYSA-N
XLogP2.02
TPSA121.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1S,3R)-3-ethoxy-1-(furan-2-carbonylamino)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 129402546
4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120530186
3-ethoxy-2,2-dimethyl-1-[(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120699333
1-[(2-bromo-4-methylbenzoyl)amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699481
3-ethoxy-2,2-dimethyl-1-[(2-methylsulfanylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 120977631
1-(1,3-benzodioxole-5-carbonylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700163
1-[(3-bromo-2-methylbenzoyl)amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699615
6-(furan-2-yl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95977413
6-(furan-2-yl)-N-(3-methylbutyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47459019
1-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700132
1-[(3,5-difluorobenzoyl)amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699634
2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid
CID 120517072

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid (CID 120700227) is 3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid is CCOC1CC(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)(C(=O)O)C1(C)C.
What is the InChIKey of 3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is WIOIWDYYNPRIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-4-26-14-10-19(17(24)25,18(14,2)3)21-16(23)11-7-8-12(20-15(11)22)13-6-5-9-27-13/h5-9,14H,4,10H2,1-3H3,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 374.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 120700227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).