5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid

C13H12N2O3S — CID 60794533

IUPAC5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(CNC(=O)c2ccc(C(=O)O)s2)cn1
InChIInChI=1S/C13H12N2O3S/c1-8-2-3-9(6-14-8)7-15-12(16)10-4-5-11(19-10)13(17)18/h2-6H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyRYZHVKLGTBDRQM-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.08
Rot. Bonds4

About 5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid

5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 60794533) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID60794533
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(CNC(=O)c2ccc(C(=O)O)s2)cn1
InChIInChI=1S/C13H12N2O3S/c1-8-2-3-9(6-14-8)7-15-12(16)10-4-5-11(19-10)13(17)18/h2-6H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyRYZHVKLGTBDRQM-UHFFFAOYSA-N
XLogP2.08
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid (CID 60794533) is 5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid is Cc1ccc(CNC(=O)c2ccc(C(=O)O)s2)cn1.
What is the InChIKey of 5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is RYZHVKLGTBDRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-2-3-9(6-14-8)7-15-12(16)10-4-5-11(19-10)13(17)18/h2-6H,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid?
5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60794533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).