2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide

C11H7ClN2O2S — CID 144811588

IUPAC2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1ccc(-c2ccc(Cl)s2)nc1
InChIInChI=1S/C11H7ClN2O2S/c12-9-4-3-8(17-9)7-2-1-6(5-14-7)10(15)11(13)16/h1-5H,(H2,13,16)
InChIKeyBEZFSSULBSOFKH-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.13
Rot. Bonds3

About 2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide

2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide (PubChem CID 144811588) has the molecular formula C11H7ClN2O2S and a molecular weight of 266.71 g/mol. Its IUPAC name is 2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide
PubChem CID144811588
Molecular FormulaC11H7ClN2O2S
Molecular Weight266.71 g/mol
Exact Mass265.99
IUPAC Name2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1ccc(-c2ccc(Cl)s2)nc1
InChIInChI=1S/C11H7ClN2O2S/c12-9-4-3-8(17-9)7-2-1-6(5-14-7)10(15)11(13)16/h1-5H,(H2,13,16)
InChIKeyBEZFSSULBSOFKH-UHFFFAOYSA-N
XLogP2.13
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide
CID 54760592
2-(6-methyl-3-pyridinyl)-2-oxoacetamide
CID 57047401
4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide
CID 116904013
[(2S)-5-amino-2-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoyl] 6-(5-chlorothiophen-2-yl)pyridine-3-carboxylate
CID 87361185
N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide
CID 25271457
1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone
CID 166320249
6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide
CID 112727012
3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine
CID 166793488
sodium 4-(5-chlorothiophen-2-yl)benzoate
CID 122404758
[2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol
CID 131160800
4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide
CID 167812117
1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine
CID 158431783

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide?
The IUPAC name of 2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide (CID 144811588) is 2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide.
What is the SMILES notation for 2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide?
The canonical SMILES for 2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide is NC(=O)C(=O)c1ccc(-c2ccc(Cl)s2)nc1.
What is the InChIKey of 2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide?
The InChIKey is BEZFSSULBSOFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2S/c12-9-4-3-8(17-9)7-2-1-6(5-14-7)10(15)11(13)16/h1-5H,(H2,13,16).
What are the key properties of 2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide?
2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide has a molecular weight of 266.71 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide is sourced from PubChem (CID 144811588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).