N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

C22H23F3N4O3 — CID 170701047

About N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 170701047) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
• PubChem CID: 170701047
• Molecular Formula: C22H23F3N4O3
• Molecular Weight: 448.45 g/mol
• Exact Mass: 448.17
• IUPAC Name: N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
• SMILES: CCC(CCO)NC(=O)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccn(C)n2)c1
• InChI: InChI=1S/C22H23F3N4O3/c1-3-16(9-11-30)27-20(31)14-12-18(19-8-10-29(2)28-19)21(26-13-14)32-17-6-4-15(5-7-17)22(23,24)25/h4-8,10,12-13,16,30H,3,9,11H2,1-2H3,(H,27,31)
• InChIKey: UGTQFTVRSMMUQY-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 89.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.45
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?

The IUPAC name of N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (CID 170701047) is N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

What is the SMILES notation for N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?

The canonical SMILES for N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is CCC(CCO)NC(=O)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccn(C)n2)c1.

What is the InChIKey of N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?

The InChIKey is UGTQFTVRSMMUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3/c1-3-16(9-11-30)27-20(31)14-12-18(19-8-10-29(2)28-19)21(26-13-14)32-17-6-4-15(5-7-17)22(23,24)25/h4-8,10,12-13,16,30H,3,9,11H2,1-2H3,(H,27,31).

What are the key properties of N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?

N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 170701047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).