4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C16H22N2O4 — CID 120530176

IUPAC4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2cccc(=O)n2C)(C(=O)O)CC1
InChIInChI=1S/C16H22N2O4/c1-3-11-7-9-16(10-8-11,15(21)22)17-14(20)12-5-4-6-13(19)18(12)2/h4-6,11H,3,7-10H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyPGLCNVHFJMMFOD-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.54
Rot. Bonds4

About 4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid

4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120530176) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120530176
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2cccc(=O)n2C)(C(=O)O)CC1
InChIInChI=1S/C16H22N2O4/c1-3-11-7-9-16(10-8-11,15(21)22)17-14(20)12-5-4-6-13(19)18(12)2/h4-6,11H,3,7-10H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyPGLCNVHFJMMFOD-UHFFFAOYSA-N
XLogP1.54
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 43341551
1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 62240588
4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341398
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341548
4-ethyl-1-[(2-methylpyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 106752502
4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120530186
4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 81118011
4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61188086
N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide
CID 61121408
1-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 122108101
1-[(2,5-dibromothiophene-3-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 103925797

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120530176) is 4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)c2cccc(=O)n2C)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is PGLCNVHFJMMFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-11-7-9-16(10-8-11,15(21)22)17-14(20)12-5-4-6-13(19)18(12)2/h4-6,11H,3,7-10H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120530176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).