2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid

C13H12N2O3S — CID 115284033

IUPAC2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1cncc(C(=O)NC(C(=O)O)c2cccs2)c1
InChIInChI=1S/C13H12N2O3S/c1-8-5-9(7-14-6-8)12(16)15-11(13(17)18)10-3-2-4-19-10/h2-7,11H,1H3,(H,15,16)(H,17,18)
InChIKeyOSLWGCPSDFCCRI-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.01
Rot. Bonds4

About 2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid

2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115284033) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115284033
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1cncc(C(=O)NC(C(=O)O)c2cccs2)c1
InChIInChI=1S/C13H12N2O3S/c1-8-5-9(7-14-6-8)12(16)15-11(13(17)18)10-3-2-4-19-10/h2-7,11H,1H3,(H,15,16)(H,17,18)
InChIKeyOSLWGCPSDFCCRI-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 79018523
2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid
CID 113278603
2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107971632
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115283782
2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 82883193
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284026
3-[5-(1-thiophen-2-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76909096
2-[(3-bromo-4-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107949412
2-[(3-bromo-4-chlorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107998044
2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283909
2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284684

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid (CID 115284033) is 2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid is Cc1cncc(C(=O)NC(C(=O)O)c2cccs2)c1.
What is the InChIKey of 2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is OSLWGCPSDFCCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-5-9(7-14-6-8)12(16)15-11(13(17)18)10-3-2-4-19-10/h2-7,11H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid?
2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 276.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).