2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid

C12H10N2O3S — CID 79802588

IUPAC2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid
SMILESCc1cscc1C(=O)Nc1cc(C(=O)O)ccn1
InChIInChI=1S/C12H10N2O3S/c1-7-5-18-6-9(7)11(15)14-10-4-8(12(16)17)2-3-13-10/h2-6H,1H3,(H,16,17)(H,13,14,15)
InChIKeyKRURAIRXPXHLAN-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.40
Rot. Bonds3

About 2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid

2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid (PubChem CID 79802588) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid
PubChem CID79802588
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid
SMILESCc1cscc1C(=O)Nc1cc(C(=O)O)ccn1
InChIInChI=1S/C12H10N2O3S/c1-7-5-18-6-9(7)11(15)14-10-4-8(12(16)17)2-3-13-10/h2-6H,1H3,(H,16,17)(H,13,14,15)
InChIKeyKRURAIRXPXHLAN-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

2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid
CID 136903643
2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 81470848
2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid
CID 114368080
5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 79802054
2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 79812305
2-[(2-bromopyridine-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 114037370
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802864
2-hydrazinylpyridine-4-carboxylic acid
CID 26967246
2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802577
2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 60709058
3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 75356313
2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 107670890

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid (CID 79802588) is 2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid is Cc1cscc1C(=O)Nc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid?
The InChIKey is KRURAIRXPXHLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-7-5-18-6-9(7)11(15)14-10-4-8(12(16)17)2-3-13-10/h2-6H,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid?
2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-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 2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 79802588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).