6-(oxan-4-yl)-N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C26H28F3N5O3 — CID 129032667

IUPAC6-(oxan-4-yl)-N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1cccc(C2CCOCC2)n1
InChIInChI=1S/C26H28F3N5O3/c27-26(28,29)19-4-5-24(34-10-8-33(9-11-34)15-20-16-37-17-30-20)23(14-19)32-25(35)22-3-1-2-21(31-22)18-6-12-36-13-7-18/h1-5,14,16-18H,6-13,15H2,(H,32,35)
InChIKeyAFUSSRMHXZAKCE-UHFFFAOYSA-N
MW515.54 g/mol
LogP4.56
Rot. Bonds6

About 6-(oxan-4-yl)-N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

6-(oxan-4-yl)-N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 129032667) has the molecular formula C26H28F3N5O3 and a molecular weight of 515.54 g/mol. Its IUPAC name is 6-(oxan-4-yl)-N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(oxan-4-yl)-N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID129032667
Molecular FormulaC26H28F3N5O3
Molecular Weight515.54 g/mol
Exact Mass515.21
IUPAC Name6-(oxan-4-yl)-N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1cccc(C2CCOCC2)n1
InChIInChI=1S/C26H28F3N5O3/c27-26(28,29)19-4-5-24(34-10-8-33(9-11-34)15-20-16-37-17-30-20)23(14-19)32-25(35)22-3-1-2-21(31-22)18-6-12-36-13-7-18/h1-5,14,16-18H,6-13,15H2,(H,32,35)
InChIKeyAFUSSRMHXZAKCE-UHFFFAOYSA-N
XLogP4.56
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 129032599
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-picolinamide
CID 129032618
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)-5-(tetrahydro-2H-pyran-4-yl)picolinamide
CID 129032620
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)pyrazine-2-carboxamide
CID 129032651
N-[2-[4-[2-(methylideneamino)ethyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-6-(oxan-4-yl)pyridine-2-carboxamide
CID 145294768
2-cyclopropyl-N-[2-[4-(6-fluoro-3-pyridinyl)piperazin-1-yl]-5-[5-(2-oxopyrrolidin-1-yl)pentanoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 146853136
N-[4-[1-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]piperidin-4-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 171683895
N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide
CID 58727354

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-yl)-N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-(oxan-4-yl)-N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 129032667) is 6-(oxan-4-yl)-N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(oxan-4-yl)-N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(oxan-4-yl)-N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1cccc(C2CCOCC2)n1.
What is the InChIKey of 6-(oxan-4-yl)-N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is AFUSSRMHXZAKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O3/c27-26(28,29)19-4-5-24(34-10-8-33(9-11-34)15-20-16-37-17-30-20)23(14-19)32-25(35)22-3-1-2-21(31-22)18-6-12-36-13-7-18/h1-5,14,16-18H,6-13,15H2,(H,32,35).
What are the key properties of 6-(oxan-4-yl)-N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
6-(oxan-4-yl)-N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 515.54 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-yl)-N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 129032667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).