6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid

C14H14N2O3S — CID 61437390

IUPAC6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(Cc1cccs1)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C14H14N2O3S/c1-2-16(9-10-5-4-8-20-10)13(17)11-6-3-7-12(15-11)14(18)19/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyJZVOWYAPGMVNOC-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.50
Rot. Bonds5

About 6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid

6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 61437390) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID61437390
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(Cc1cccs1)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C14H14N2O3S/c1-2-16(9-10-5-4-8-20-10)13(17)11-6-3-7-12(15-11)14(18)19/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyJZVOWYAPGMVNOC-UHFFFAOYSA-N
XLogP2.50
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730228
6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558340
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568359
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indazole-7-carboxamide
CID 33033043
N-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104640839

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid (CID 61437390) is 6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid is CCN(Cc1cccs1)C(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is JZVOWYAPGMVNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-2-16(9-10-5-4-8-20-10)13(17)11-6-3-7-12(15-11)14(18)19/h3-8H,2,9H2,1H3,(H,18,19).
What are the key properties of 6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 61437390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).