5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid

C14H18N2O3S — CID 103714417

IUPAC5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCSC1CCC(NC(=O)c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C14H18N2O3S/c1-2-20-11-5-4-10(7-11)16-13(17)9-3-6-12(14(18)19)15-8-9/h3,6,8,10-11H,2,4-5,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyBPFZVNRLUYDANS-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.18
Rot. Bonds5

About 5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid

5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 103714417) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID103714417
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCSC1CCC(NC(=O)c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C14H18N2O3S/c1-2-20-11-5-4-10(7-11)16-13(17)9-3-6-12(14(18)19)15-8-9/h3,6,8,10-11H,2,4-5,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyBPFZVNRLUYDANS-UHFFFAOYSA-N
XLogP2.18
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103709555
N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide
CID 113245262
5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 61380872
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
2-(ethylamino)-N-(3-ethylsulfanylcyclopentyl)pyridine-4-carboxamide
CID 103738205
5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 124702553
N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 100627468
4-amino-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 105056170
5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid
CID 61408527
2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide
CID 106812168
4-chloro-N-(3-ethylsulfanylcyclopentyl)-3-nitrobenzamide
CID 103714414
5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide
CID 114124045

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid (CID 103714417) is 5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid is CCSC1CCC(NC(=O)c2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is BPFZVNRLUYDANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-2-20-11-5-4-10(7-11)16-13(17)9-3-6-12(14(18)19)15-8-9/h3,6,8,10-11H,2,4-5,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid?
5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 103714417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).