2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid

C13H12N2O3S — CID 63653051

IUPAC2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)Nc2ncccc2C(=O)O)sc1C
InChIInChI=1S/C13H12N2O3S/c1-7-6-10(19-8(7)2)12(16)15-11-9(13(17)18)4-3-5-14-11/h3-6H,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyAYHLYAMVIDYRKO-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.71
Rot. Bonds3

About 2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid

2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 63653051) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID63653051
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)Nc2ncccc2C(=O)O)sc1C
InChIInChI=1S/C13H12N2O3S/c1-7-6-10(19-8(7)2)12(16)15-11-9(13(17)18)4-3-5-14-11/h3-6H,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyAYHLYAMVIDYRKO-UHFFFAOYSA-N
XLogP2.71
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654434
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
CID 61405863
2-[(3-fluoro-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63653746
2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63652866
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid
CID 65237727
4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 97050777
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid
CID 62867660
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
CID 55246558

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid (CID 63653051) is 2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid is Cc1cc(C(=O)Nc2ncccc2C(=O)O)sc1C.
What is the InChIKey of 2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is AYHLYAMVIDYRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-7-6-10(19-8(7)2)12(16)15-11-9(13(17)18)4-3-5-14-11/h3-6H,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid?
2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63653051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).