5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid

C14H14N2O3S — CID 63615147

IUPAC5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2ncccc2C)s1
InChIInChI=1S/C14H14N2O3S/c1-3-9-7-10(14(18)19)13(20-9)16-12(17)11-8(2)5-4-6-15-11/h4-7H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyNXCMGPGYLLSCBH-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.96
Rot. Bonds4

About 5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid

5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 63615147) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID63615147
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2ncccc2C)s1
InChIInChI=1S/C14H14N2O3S/c1-3-9-7-10(14(18)19)13(20-9)16-12(17)11-8(2)5-4-6-15-11/h4-7H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyNXCMGPGYLLSCBH-UHFFFAOYSA-N
XLogP2.96
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-[(3-methylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63616189
5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 876996
5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 63616191
5-ethyl-2-[(2-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 63616184
3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62340624
5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 115496428
5-ethyl-2-[(3-ethylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615151
5-ethyl-2-(thiophene-3-carbonylamino)thiophene-3-carboxylic acid
CID 63616182
4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62338930
5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid
CID 63614496
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 106500285
2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 63616464

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (CID 63615147) is 5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(NC(=O)c2ncccc2C)s1.
What is the InChIKey of 5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is NXCMGPGYLLSCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-3-9-7-10(14(18)19)13(20-9)16-12(17)11-8(2)5-4-6-15-11/h4-7H,3H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63615147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).