5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid

C12H10N2O3S — CID 79802054

IUPAC5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCc1cscc1C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C12H10N2O3S/c1-7-5-18-6-10(7)11(15)14-9-2-8(12(16)17)3-13-4-9/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyIKKHRQBWWKOOFV-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.40
Rot. Bonds3

About 5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid

5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 79802054) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID79802054
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCc1cscc1C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C12H10N2O3S/c1-7-5-18-6-10(7)11(15)14-9-2-8(12(16)17)3-13-4-9/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyIKKHRQBWWKOOFV-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

5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 65308224
5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 156760584
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802864
5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114019626
5-[(2-methoxy-5-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63154692
2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid
CID 79802588
5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid
CID 63154147
5-[(2,5-dimethylpyrazole-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 66127114
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153384
5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63153677
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 102810182
N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802134

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid (CID 79802054) is 5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid is Cc1cscc1C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is IKKHRQBWWKOOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-7-5-18-6-10(7)11(15)14-9-2-8(12(16)17)3-13-4-9/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid?
5-[(4-methylthiophene-3-carbonyl)amino]pyridine-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-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 79802054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).