[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate

C13H11N3O4S — CID 7776268

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1ccccn1
InChIInChI=1S/C13H11N3O4S/c14-11(18)8-4-6-21-12(8)16-10(17)7-20-13(19)9-3-1-2-5-15-9/h1-6H,7H2,(H2,14,18)(H,16,17)
InChIKeyJJNQQBYGGSEEDS-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.04
Rot. Bonds5

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 7776268) has the molecular formula C13H11N3O4S and a molecular weight of 305.31 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
PubChem CID7776268
Molecular FormulaC13H11N3O4S
Molecular Weight305.31 g/mol
Exact Mass305.05
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1ccccn1
InChIInChI=1S/C13H11N3O4S/c14-11(18)8-4-6-21-12(8)16-10(17)7-20-13(19)9-3-1-2-5-15-9/h1-6H,7H2,(H2,14,18)(H,16,17)
InChIKeyJJNQQBYGGSEEDS-UHFFFAOYSA-N
XLogP1.04
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate (CID 7776268) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate is NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccn1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is JJNQQBYGGSEEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S/c14-11(18)8-4-6-21-12(8)16-10(17)7-20-13(19)9-3-1-2-5-15-9/h1-6H,7H2,(H2,14,18)(H,16,17).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 305.31 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 7776268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).