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

C15H20N2O4 — CID 43341526

IUPAC4-ethyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2ccc(=O)[nH]c2)(C(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c1-2-10-5-7-15(8-6-10,14(20)21)17-13(19)11-3-4-12(18)16-9-11/h3-4,9-10H,2,5-8H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyUWUSECQNDJIQAH-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.53
Rot. Bonds4

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

4-ethyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43341526) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-ethyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43341526
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-ethyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2ccc(=O)[nH]c2)(C(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c1-2-10-5-7-15(8-6-10,14(20)21)17-13(19)11-3-4-12(18)16-9-11/h3-4,9-10H,2,5-8H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyUWUSECQNDJIQAH-UHFFFAOYSA-N
XLogP1.53
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43341526) is 4-ethyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)c2ccc(=O)[nH]c2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is UWUSECQNDJIQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-10-5-7-15(8-6-10,14(20)21)17-13(19)11-3-4-12(18)16-9-11/h3-4,9-10H,2,5-8H2,1H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 4-ethyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).