N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide

C22H18F5N3O4 — CID 78018918

About N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide

N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide (PubChem CID 78018918) has the molecular formula C22H18F5N3O4 and a molecular weight of 483.39 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide
• PubChem CID: 78018918
• Molecular Formula: C22H18F5N3O4
• Molecular Weight: 483.39 g/mol
• Exact Mass: 483.12
• IUPAC Name: N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide
• SMILES: CC(O)Cn1cc(C(=O)NC(c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)ccc1=O
• InChI: InChI=1S/C22H18F5N3O4/c1-12(31)10-30-11-14(5-7-18(30)32)21(33)29-19(20-15(23)3-2-8-28-20)13-4-6-17(16(24)9-13)34-22(25,26)27/h2-9,11-12,19,31H,10H2,1H3,(H,29,33)
• InChIKey: HPZUAJFPXWSKBH-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 93.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.39
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide?

The IUPAC name of N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide (CID 78018918) is N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide?

The canonical SMILES for N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide is CC(O)Cn1cc(C(=O)NC(c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)ccc1=O.

What is the InChIKey of N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide?

The InChIKey is HPZUAJFPXWSKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F5N3O4/c1-12(31)10-30-11-14(5-7-18(30)32)21(33)29-19(20-15(23)3-2-8-28-20)13-4-6-17(16(24)9-13)34-22(25,26)27/h2-9,11-12,19,31H,10H2,1H3,(H,29,33).

What are the key properties of N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide?

N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide has a molecular weight of 483.39 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 78018918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).