2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid

C12H10N2O3S — CID 113278603

IUPAC2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)c1cccnc1
InChIInChI=1S/C12H10N2O3S/c15-11(8-3-1-5-13-7-8)14-10(12(16)17)9-4-2-6-18-9/h1-7,10H,(H,14,15)(H,16,17)
InChIKeyQWEJFEMWFVXRHU-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.70
Rot. Bonds4

About 2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid

2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid (PubChem CID 113278603) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid
PubChem CID113278603
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)c1cccnc1
InChIInChI=1S/C12H10N2O3S/c15-11(8-3-1-5-13-7-8)14-10(12(16)17)9-4-2-6-18-9/h1-7,10H,(H,14,15)(H,16,17)
InChIKeyQWEJFEMWFVXRHU-UHFFFAOYSA-N
XLogP1.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284033
2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284148
2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 79018523
2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107971632
N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
CID 92665827
2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115283782
N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 3241321
N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 31709977
2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115283978
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815
3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride
CID 52993255
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid (CID 113278603) is 2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid is O=C(NC(C(=O)O)c1cccs1)c1cccnc1.
What is the InChIKey of 2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid?
The InChIKey is QWEJFEMWFVXRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-11(8-3-1-5-13-7-8)14-10(12(16)17)9-4-2-6-18-9/h1-7,10H,(H,14,15)(H,16,17).
What are the key properties of 2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid?
2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid has a molecular weight of 262.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 113278603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).