3-methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid

C12H10N2O3S — CID 16775434

IUPAC3-methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cccnc2)sc1C(=O)O
InChIInChI=1S/C12H10N2O3S/c1-7-5-9(18-10(7)12(16)17)14-11(15)8-3-2-4-13-6-8/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyLTTYPTLDQXDFEZ-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.40
Rot. Bonds3

About 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid

3-methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid (PubChem CID 16775434) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
PubChem CID16775434
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name3-methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cccnc2)sc1C(=O)O
InChIInChI=1S/C12H10N2O3S/c1-7-5-9(18-10(7)12(16)17)14-11(15)8-3-2-4-13-6-8/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyLTTYPTLDQXDFEZ-UHFFFAOYSA-N
XLogP2.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid (CID 16775434) is 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid is Cc1cc(NC(=O)c2cccnc2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid?
The InChIKey is LTTYPTLDQXDFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-7-5-9(18-10(7)12(16)17)14-11(15)8-3-2-4-13-6-8/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid?
3-methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 16775434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).