N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

C22H20F3N3O3 — CID 170701261

About N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 170701261) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
• PubChem CID: 170701261
• Molecular Formula: C22H20F3N3O3
• Molecular Weight: 431.41 g/mol
• Exact Mass: 431.15
• IUPAC Name: N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
• SMILES: Cc1cccc(-c2cc(C(=O)N[C@H](C)CO)cnc2Oc2ccc(C(F)(F)F)cc2)n1
• InChI: InChI=1S/C22H20F3N3O3/c1-13-4-3-5-19(27-13)18-10-15(20(30)28-14(2)12-29)11-26-21(18)31-17-8-6-16(7-9-17)22(23,24)25/h3-11,14,29H,12H2,1-2H3,(H,28,30)/t14-/m1/s1
• InChIKey: RUIRSLXPBNQZAG-CQSZACIVSA-N
• XLogP: 4.37
• TPSA: 84.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.41
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?

The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (CID 170701261) is N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?

The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is Cc1cccc(-c2cc(C(=O)N[C@H](C)CO)cnc2Oc2ccc(C(F)(F)F)cc2)n1.

What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?

The InChIKey is RUIRSLXPBNQZAG-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c1-13-4-3-5-19(27-13)18-10-15(20(30)28-14(2)12-29)11-26-21(18)31-17-8-6-16(7-9-17)22(23,24)25/h3-11,14,29H,12H2,1-2H3,(H,28,30)/t14-/m1/s1.

What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?

N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 431.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 170701261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).