4-acetyl-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide

C12H9FN2O2S — CID 84595007

IUPAC4-acetyl-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)Nc2ccncc2F)c1
InChIInChI=1S/C12H9FN2O2S/c1-7(16)8-4-11(18-6-8)12(17)15-10-2-3-14-5-9(10)13/h2-6H,1H3,(H,14,15,17)
InChIKeyLMPVKHXDQWGPRN-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.74
Rot. Bonds3

About 4-acetyl-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide

4-acetyl-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide (PubChem CID 84595007) has the molecular formula C12H9FN2O2S and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-acetyl-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide
PubChem CID84595007
Molecular FormulaC12H9FN2O2S
Molecular Weight264.28 g/mol
Exact Mass264.04
IUPAC Name4-acetyl-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)Nc2ccncc2F)c1
InChIInChI=1S/C12H9FN2O2S/c1-7(16)8-4-11(18-6-8)12(17)15-10-2-3-14-5-9(10)13/h2-6H,1H3,(H,14,15,17)
InChIKeyLMPVKHXDQWGPRN-UHFFFAOYSA-N
XLogP2.74
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[4-[(3-fluoro-4-pyridinyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 107595376
4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 103871197
4-acetyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiophene-2-carboxamide
CID 120884122
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
CID 113342448
N-(5-acetyl-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 71917356
4-(bromomethyl)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594820
N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 57412037
N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide
CID 103874413
6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide
CID 103874439
5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 107595440
3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide
CID 113343068

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 4-acetyl-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide (CID 84595007) is 4-acetyl-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide is CC(=O)c1csc(C(=O)Nc2ccncc2F)c1.
What is the InChIKey of 4-acetyl-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide?
The InChIKey is LMPVKHXDQWGPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2S/c1-7(16)8-4-11(18-6-8)12(17)15-10-2-3-14-5-9(10)13/h2-6H,1H3,(H,14,15,17).
What are the key properties of 4-acetyl-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide?
4-acetyl-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 84595007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).