6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid

C13H12N2O3S — CID 61389277

IUPAC6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCCc1ccsc1C(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H12N2O3S/c1-2-8-5-6-19-11(8)12(16)15-10-4-3-9(7-14-10)13(17)18/h3-7H,2H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyYCQMFYDIVPMSTI-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.66
Rot. Bonds4

About 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid

6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 61389277) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID61389277
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCCc1ccsc1C(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H12N2O3S/c1-2-8-5-6-19-11(8)12(16)15-10-4-3-9(7-14-10)13(17)18/h3-7H,2H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyYCQMFYDIVPMSTI-UHFFFAOYSA-N
XLogP2.66
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 22099827
6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid
CID 54433636
3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526870
6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
CID 61317360
6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 55247579
N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 79841640
2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119231148
N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 47461837
6-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 104669549
6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 61320020
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide
CID 47374727
6-[(2-ethoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61319184

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid (CID 61389277) is 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid is CCc1ccsc1C(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is YCQMFYDIVPMSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-2-8-5-6-19-11(8)12(16)15-10-4-3-9(7-14-10)13(17)18/h3-7H,2H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid?
6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61389277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).