5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid

C15H21N3O5S — CID 155470049

IUPAC5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid
SMILESCCS(=O)(=O)Nc1ncc(C(=O)O)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C15H21N3O5S/c1-2-24(22,23)18-13-12(8-11(9-16-13)15(20)21)17-14(19)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyMWORKVVELKDLEY-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.06
Rot. Bonds6

About 5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid

5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid (PubChem CID 155470049) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid
PubChem CID155470049
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Name5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid
SMILESCCS(=O)(=O)Nc1ncc(C(=O)O)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C15H21N3O5S/c1-2-24(22,23)18-13-12(8-11(9-16-13)15(20)21)17-14(19)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyMWORKVVELKDLEY-UHFFFAOYSA-N
XLogP2.06
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboxamide
CID 10154714
6-(cyclopentanecarbonylamino)pyridine-3-carboxylic acid
CID 22099684
4-bromo-3-(cyclobutanecarbonylamino)benzoic acid
CID 107812424
3-bromo-4-(cyclooctanecarbonylamino)benzoic acid
CID 65019429
N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide
CID 1452762
1-(cyclohexanecarbonyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrrolidine-2-carboxamide
CID 55947181
N-(4-methyl-2,3-dihydrofuro[2,3-b]pyridin-5-yl)cycloheptanecarboxamide
CID 146803946
3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
CID 104740375
N-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)cyclononanecarboxamide
CID 135213240
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55960977
3-(ethylsulfonylamino)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]benzoic acid
CID 20931170

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid (CID 155470049) is 5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid is CCS(=O)(=O)Nc1ncc(C(=O)O)cc1NC(=O)C1CCCCC1.
What is the InChIKey of 5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid?
The InChIKey is MWORKVVELKDLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-2-24(22,23)18-13-12(8-11(9-16-13)15(20)21)17-14(19)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid?
5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid has a molecular weight of 355.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexanecarbonylamino)-6-(ethylsulfonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 155470049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).