5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

C23H20F4N2O3 — CID 170701194

About 5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 170701194) has the molecular formula C23H20F4N2O3 and a molecular weight of 448.42 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
• PubChem CID: 170701194
• Molecular Formula: C23H20F4N2O3
• Molecular Weight: 448.42 g/mol
• Exact Mass: 448.14
• IUPAC Name: 5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
• SMILES: CC[C@H](CO)NC(=O)c1cnc(Oc2cccc(C(F)(F)F)c2)c(-c2cccc(F)c2)c1
• InChI: InChI=1S/C23H20F4N2O3/c1-2-18(13-30)29-21(31)15-10-20(14-5-3-7-17(24)9-14)22(28-12-15)32-19-8-4-6-16(11-19)23(25,26)27/h3-12,18,30H,2,13H2,1H3,(H,29,31)/t18-/m1/s1
• InChIKey: RNFJIGNAZVKLGC-GOSISDBHSA-N
• XLogP: 5.20
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.42
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?

The IUPAC name of 5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (CID 170701194) is 5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

What is the SMILES notation for 5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?

The canonical SMILES for 5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is CC[C@H](CO)NC(=O)c1cnc(Oc2cccc(C(F)(F)F)c2)c(-c2cccc(F)c2)c1.

What is the InChIKey of 5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?

The InChIKey is RNFJIGNAZVKLGC-GOSISDBHSA-N. The full InChI is InChI=1S/C23H20F4N2O3/c1-2-18(13-30)29-21(31)15-10-20(14-5-3-7-17(24)9-14)22(28-12-15)32-19-8-4-6-16(11-19)23(25,26)27/h3-12,18,30H,2,13H2,1H3,(H,29,31)/t18-/m1/s1.

What are the key properties of 5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?

5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 448.42 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 170701194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).