1-(5-ethenyl-3-fluoro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide

C20H16F2N4OS — CID 59334793

About 1-(5-ethenyl-3-fluoro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide

1-(5-ethenyl-3-fluoro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 59334793) has the molecular formula C20H16F2N4OS and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-(5-ethenyl-3-fluoro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(5-ethenyl-3-fluoro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
• PubChem CID: 59334793
• Molecular Formula: C20H16F2N4OS
• Molecular Weight: 398.44 g/mol
• Exact Mass: 398.10
• IUPAC Name: 1-(5-ethenyl-3-fluoro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
• SMILES: C=Cc1cnc(N2CC=C(C(=O)Nc3nc4ccc(F)cc4s3)CC2)c(F)c1
• InChI: InChI=1S/C20H16F2N4OS/c1-2-12-9-15(22)18(23-11-12)26-7-5-13(6-8-26)19(27)25-20-24-16-4-3-14(21)10-17(16)28-20/h2-5,9-11H,1,6-8H2,(H,24,25,27)
• InChIKey: WDGVTMRQIGDYSL-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.44
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethenyl-3-fluoro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide?

The IUPAC name of 1-(5-ethenyl-3-fluoro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 59334793) is 1-(5-ethenyl-3-fluoro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide.

What is the SMILES notation for 1-(5-ethenyl-3-fluoro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide?

The canonical SMILES for 1-(5-ethenyl-3-fluoro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide is C=Cc1cnc(N2CC=C(C(=O)Nc3nc4ccc(F)cc4s3)CC2)c(F)c1.

What is the InChIKey of 1-(5-ethenyl-3-fluoro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide?

The InChIKey is WDGVTMRQIGDYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4OS/c1-2-12-9-15(22)18(23-11-12)26-7-5-13(6-8-26)19(27)25-20-24-16-4-3-14(21)10-17(16)28-20/h2-5,9-11H,1,6-8H2,(H,24,25,27).

What are the key properties of 1-(5-ethenyl-3-fluoro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide?

1-(5-ethenyl-3-fluoro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-ethenyl-3-fluoro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 59334793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).