[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate

C17H18N2O3S — CID 3228506

IUPAC[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate
SMILESO=C(OC(C(=O)NC1CCCC1)c1ccccn1)c1cccs1
InChIInChI=1S/C17H18N2O3S/c20-16(19-12-6-1-2-7-12)15(13-8-3-4-10-18-13)22-17(21)14-9-5-11-23-14/h3-5,8-12,15H,1-2,6-7H2,(H,19,20)
InChIKeyWDAZZVKMJSRDOS-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.10
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate

[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate (PubChem CID 3228506) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate
PubChem CID3228506
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate
SMILESO=C(OC(C(=O)NC1CCCC1)c1ccccn1)c1cccs1
InChIInChI=1S/C17H18N2O3S/c20-16(19-12-6-1-2-7-12)15(13-8-3-4-10-18-13)22-17(21)14-9-5-11-23-14/h3-5,8-12,15H,1-2,6-7H2,(H,19,20)
InChIKeyWDAZZVKMJSRDOS-UHFFFAOYSA-N
XLogP3.10
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(Pyridin-3-ylcarbonyl)amino]ethyl thiophene-2-carboxylate
CID 649732
Thiophene-2-carboxylic acid pyridin-2-yl-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl ester
CID 652279
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid cyclohexylcarbamoyl-pyridin-2-yl-methyl ester
CID 3228542
[2-[(3-Ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776315
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-methylpyrrole-2-carboxylate
CID 2629306
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776268
Thiophene-2-carboxylic acid pyridin-2-yl-[(thiophen-2-ylmethyl)-carbamoyl]-methyl ester
CID 648315
Thiophene-2-carboxylic acid cyclohexylcarbamoyl-pyridin-2-yl-methyl ester
CID 3228507
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate
CID 2693083
1,5-anhydro-2,4-dideoxy-2-{[(4-ethyl-5-methyl-3-thienyl)carbonyl]amino}-3-O-(pyridin-2-ylmethyl)-D-threo-pentitol
CID 91784055
[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 8159605
[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 8159610

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate (CID 3228506) is [2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate is O=C(OC(C(=O)NC1CCCC1)c1ccccn1)c1cccs1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate?
The InChIKey is WDAZZVKMJSRDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-16(19-12-6-1-2-7-12)15(13-8-3-4-10-18-13)22-17(21)14-9-5-11-23-14/h3-5,8-12,15H,1-2,6-7H2,(H,19,20).
What are the key properties of [2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate?
[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate has a molecular weight of 330.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate is sourced from PubChem (CID 3228506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).