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

C12H10N2O3S — CID 114914626

IUPAC4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)c1cccnc1
InChIInChI=1S/C12H10N2O3S/c1-7-6-18-10(12(16)17)9(7)14-11(15)8-3-2-4-13-5-8/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyAYYSOLKWIRICAV-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.40
Rot. Bonds3

About 4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid

4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid (PubChem CID 114914626) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
PubChem CID114914626
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)c1cccnc1
InChIInChI=1S/C12H10N2O3S/c1-7-6-18-10(12(16)17)9(7)14-11(15)8-3-2-4-13-5-8/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyAYYSOLKWIRICAV-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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Related Compounds

3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914551
4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914762
3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
CID 16773059
3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914554
4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 114915122
N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide
CID 50880463
N-(2-amino-4,6-dimethylphenyl)pyridine-3-carboxamide
CID 56773226
5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
CID 28858736
3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid
CID 114914987
N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 106491097
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914937

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid (CID 114914626) is 4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NC(=O)c1cccnc1.
What is the InChIKey of 4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid?
The InChIKey is AYYSOLKWIRICAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-7-6-18-10(12(16)17)9(7)14-11(15)8-3-2-4-13-5-8/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid?
4-methyl-3-(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 4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 114914626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).