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

C17H14N2O4S — CID 75513264

IUPAC6-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)n1
InChIInChI=1S/C17H14N2O4S/c20-16(14-6-1-7-15(18-14)17(21)22)19(10-12-4-2-8-23-12)11-13-5-3-9-24-13/h1-9H,10-11H2,(H,21,22)
InChIKeyANMIXEWHOWOYCW-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.28
Rot. Bonds6

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

6-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 75513264) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 6-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID75513264
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name6-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)n1
InChIInChI=1S/C17H14N2O4S/c20-16(14-6-1-7-15(18-14)17(21)22)19(10-12-4-2-8-23-12)11-13-5-3-9-24-13/h1-9H,10-11H2,(H,21,22)
InChIKeyANMIXEWHOWOYCW-UHFFFAOYSA-N
XLogP3.28
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid (CID 75513264) is 6-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)n1.
What is the InChIKey of 6-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is ANMIXEWHOWOYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c20-16(14-6-1-7-15(18-14)17(21)22)19(10-12-4-2-8-23-12)11-13-5-3-9-24-13/h1-9H,10-11H2,(H,21,22).
What are the key properties of 6-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
6-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 342.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 75513264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).