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

C12H10N2O3S — CID 28858736

IUPAC5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2cccnc2)s1
InChIInChI=1S/C12H10N2O3S/c1-7-5-9(12(16)17)11(18-7)14-10(15)8-3-2-4-13-6-8/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyFYCZCMCCYCYHIY-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.40
Rot. Bonds3

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

5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 28858736) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
PubChem CID28858736
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2cccnc2)s1
InChIInChI=1S/C12H10N2O3S/c1-7-5-9(12(16)17)11(18-7)14-10(15)8-3-2-4-13-6-8/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyFYCZCMCCYCYHIY-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

N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide
CID 39162703
5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylic acid
CID 63614852
2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107688003
2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 760013
5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid
CID 113483053
2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55249925
propan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
CID 17173909
3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid
CID 82033552
5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid
CID 63615838
5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid
CID 63617001
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid
CID 110482023

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid (CID 28858736) is 5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)c2cccnc2)s1.
What is the InChIKey of 5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is FYCZCMCCYCYHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-7-5-9(12(16)17)11(18-7)14-10(15)8-3-2-4-13-6-8/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid?
5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-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 5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 28858736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).