5-(1,3-thiazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide

C23H21F3N4O4S — CID 118189655

IUPAC5-(1,3-thiazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2cscn2)cnc1OC1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C23H21F3N4O4S/c24-23(25,26)34-17-3-1-14(2-4-17)9-20(31)30-7-5-16(6-8-30)33-22-18(21(27)32)10-15(11-28-22)19-12-35-13-29-19/h1-4,10-13,16H,5-9H2,(H2,27,32)
InChIKeyQGLRXPKCZLCBTE-UHFFFAOYSA-N
MW506.51 g/mol
LogP3.82
Rot. Bonds7

About 5-(1,3-thiazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide

5-(1,3-thiazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide (PubChem CID 118189655) has the molecular formula C23H21F3N4O4S and a molecular weight of 506.51 g/mol. Its IUPAC name is 5-(1,3-thiazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-thiazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide
PubChem CID118189655
Molecular FormulaC23H21F3N4O4S
Molecular Weight506.51 g/mol
Exact Mass506.12
IUPAC Name5-(1,3-thiazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2cscn2)cnc1OC1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C23H21F3N4O4S/c24-23(25,26)34-17-3-1-14(2-4-17)9-20(31)30-7-5-16(6-8-30)33-22-18(21(27)32)10-15(11-28-22)19-12-35-13-29-19/h1-4,10-13,16H,5-9H2,(H2,27,32)
InChIKeyQGLRXPKCZLCBTE-UHFFFAOYSA-N
XLogP3.82
TPSA107.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The IUPAC name of 5-(1,3-thiazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide (CID 118189655) is 5-(1,3-thiazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 5-(1,3-thiazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 5-(1,3-thiazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide is NC(=O)c1cc(-c2cscn2)cnc1OC1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 5-(1,3-thiazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The InChIKey is QGLRXPKCZLCBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O4S/c24-23(25,26)34-17-3-1-14(2-4-17)9-20(31)30-7-5-16(6-8-30)33-22-18(21(27)32)10-15(11-28-22)19-12-35-13-29-19/h1-4,10-13,16H,5-9H2,(H2,27,32).
What are the key properties of 5-(1,3-thiazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide?
5-(1,3-thiazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide has a molecular weight of 506.51 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 118189655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).