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

C14H14N2O3S — CID 115730228

IUPAC4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(Cc1cccs1)C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H14N2O3S/c1-2-16(9-11-4-3-7-20-11)13(17)10-5-6-15-12(8-10)14(18)19/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyWVEGUOFNSQQJSE-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.50
Rot. Bonds5

About 4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid

4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 115730228) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID115730228
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(Cc1cccs1)C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H14N2O3S/c1-2-16(9-11-4-3-7-20-11)13(17)10-5-6-15-12(8-10)14(18)19/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyWVEGUOFNSQQJSE-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-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61437390
3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801031
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63883409
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 107358620
N-ethyl-3-(N'-hydroxycarbamimidoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 76904150
3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 61106292
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
N-ethyl-6-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62175204

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid (CID 115730228) is 4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid is CCN(Cc1cccs1)C(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is WVEGUOFNSQQJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-2-16(9-11-4-3-7-20-11)13(17)10-5-6-15-12(8-10)14(18)19/h3-8H,2,9H2,1H3,(H,18,19).
What are the key properties of 4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
4-[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 4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115730228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).