4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

C19H22N2O5 — CID 120530186

About 4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120530186) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
• PubChem CID: 120530186
• Molecular Formula: C19H22N2O5
• Molecular Weight: 358.39 g/mol
• Exact Mass: 358.15
• IUPAC Name: 4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
• SMILES: CCC1CCC(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)(C(=O)O)CC1
• InChI: InChI=1S/C19H22N2O5/c1-2-12-7-9-19(10-8-12,18(24)25)21-17(23)13-5-6-14(20-16(13)22)15-4-3-11-26-15/h3-6,11-12H,2,7-10H2,1H3,(H,20,22)(H,21,23)(H,24,25)
• InChIKey: QILWGQABAAISAS-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 112.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.39
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?

The IUPAC name of 4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 120530186) is 4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

What is the SMILES notation for 4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?

The canonical SMILES for 4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)(C(=O)O)CC1.

What is the InChIKey of 4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?

The InChIKey is QILWGQABAAISAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-2-12-7-9-19(10-8-12,18(24)25)21-17(23)13-5-6-14(20-16(13)22)15-4-3-11-26-15/h3-6,11-12H,2,7-10H2,1H3,(H,20,22)(H,21,23)(H,24,25).

What are the key properties of 4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?

4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 358.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120530186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).