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

C20H18F3N3O3S — CID 170701164

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

N-[(2R)-1-hydroxypropan-2-yl]-5-(5-methyl-1,3-thiazol-2-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 170701164) has the molecular formula C20H18F3N3O3S and a molecular weight of 437.44 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-5-(5-methyl-1,3-thiazol-2-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-hydroxypropan-2-yl]-5-(5-methyl-1,3-thiazol-2-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
• PubChem CID: 170701164
• Molecular Formula: C20H18F3N3O3S
• Molecular Weight: 437.44 g/mol
• Exact Mass: 437.10
• IUPAC Name: N-[(2R)-1-hydroxypropan-2-yl]-5-(5-methyl-1,3-thiazol-2-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
• SMILES: Cc1cnc(-c2cc(C(=O)N[C@H](C)CO)cnc2Oc2ccc(C(F)(F)F)cc2)s1
• InChI: InChI=1S/C20H18F3N3O3S/c1-11(10-27)26-17(28)13-7-16(19-25-8-12(2)30-19)18(24-9-13)29-15-5-3-14(4-6-15)20(21,22)23/h3-9,11,27H,10H2,1-2H3,(H,26,28)/t11-/m1/s1
• InChIKey: USXHWRGGZGXDMP-LLVKDONJSA-N
• XLogP: 4.44
• TPSA: 84.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.44
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-5-(5-methyl-1,3-thiazol-2-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (CID 170701164) is N-[(2R)-1-hydroxypropan-2-yl]-5-(5-methyl-1,3-thiazol-2-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

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

The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-5-(5-methyl-1,3-thiazol-2-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is Cc1cnc(-c2cc(C(=O)N[C@H](C)CO)cnc2Oc2ccc(C(F)(F)F)cc2)s1.

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

The InChIKey is USXHWRGGZGXDMP-LLVKDONJSA-N. The full InChI is InChI=1S/C20H18F3N3O3S/c1-11(10-27)26-17(28)13-7-16(19-25-8-12(2)30-19)18(24-9-13)29-15-5-3-14(4-6-15)20(21,22)23/h3-9,11,27H,10H2,1-2H3,(H,26,28)/t11-/m1/s1.

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

N-[(2R)-1-hydroxypropan-2-yl]-5-(5-methyl-1,3-thiazol-2-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 437.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-hydroxypropan-2-yl]-5-(5-methyl-1,3-thiazol-2-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 170701164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).