4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid

C15H20N2O3S — CID 119187147

IUPAC4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCSC1CCC(N(C)C(=O)c2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C15H20N2O3S/c1-3-21-12-5-4-11(9-12)17(2)14(18)10-6-7-16-13(8-10)15(19)20/h6-8,11-12H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyXXXPUSYVDAVSCF-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.53
Rot. Bonds5

About 4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid

4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119187147) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119187147
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCSC1CCC(N(C)C(=O)c2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C15H20N2O3S/c1-3-21-12-5-4-11(9-12)17(2)14(18)10-6-7-16-13(8-10)15(19)20/h6-8,11-12H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyXXXPUSYVDAVSCF-UHFFFAOYSA-N
XLogP2.53
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112700598
N-(3-ethylsulfanylcyclopentyl)-N,6-dimethylpyridine-3-carboxamide
CID 71993569
2-[3-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]phenoxy]acetic acid
CID 119187152
N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide
CID 97095251
4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
CID 113263115
2-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 119817004
4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119184411
5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride
CID 120638288
4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119186302
4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730263
2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide
CID 103752625
4-[methyl(pentan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 112703111

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid (CID 119187147) is 4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid is CCSC1CCC(N(C)C(=O)c2ccnc(C(=O)O)c2)C1.
What is the InChIKey of 4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is XXXPUSYVDAVSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-21-12-5-4-11(9-12)17(2)14(18)10-6-7-16-13(8-10)15(19)20/h6-8,11-12H,3-5,9H2,1-2H3,(H,19,20).
What are the key properties of 4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid?
4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 308.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119187147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).