(4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

C25H24F3N5O3 — CID 66884196

IUPAC(4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCOc1cncc(NC(=O)N2CC/C(=C\c3cccc(Oc4ccc(C(F)(F)F)nc4)c3)C(C)C2)n1
InChIInChI=1S/C25H24F3N5O3/c1-16-15-33(24(34)32-22-13-29-14-23(31-22)35-2)9-8-18(16)10-17-4-3-5-19(11-17)36-20-6-7-21(30-12-20)25(26,27)28/h3-7,10-14,16H,8-9,15H2,1-2H3,(H,31,32,34)/b18-10+
InChIKeyQBGQZBUYWJDVDP-VCHYOVAHSA-N
MW499.49 g/mol
LogP5.65
Rot. Bonds5

About (4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

(4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 66884196) has the molecular formula C25H24F3N5O3 and a molecular weight of 499.49 g/mol. Its IUPAC name is (4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound Name(4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
PubChem CID66884196
Molecular FormulaC25H24F3N5O3
Molecular Weight499.49 g/mol
Exact Mass499.18
IUPAC Name(4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCOc1cncc(NC(=O)N2CC/C(=C\c3cccc(Oc4ccc(C(F)(F)F)nc4)c3)C(C)C2)n1
InChIInChI=1S/C25H24F3N5O3/c1-16-15-33(24(34)32-22-13-29-14-23(31-22)35-2)9-8-18(16)10-17-4-3-5-19(11-17)36-20-6-7-21(30-12-20)25(26,27)28/h3-7,10-14,16H,8-9,15H2,1-2H3,(H,31,32,34)/b18-10+
InChIKeyQBGQZBUYWJDVDP-VCHYOVAHSA-N
XLogP5.65
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.49
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide
CID 66884258
3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885163
4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66885355
3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66883411
4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66885631
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66885490
N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885242
4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 66884842
N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66884600
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66883931
(4E)-3-methyl-N-pyridazin-3-yl-4-[[3-(4,4,4-trifluoro-2-methylbutoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66897615
4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884378

Frequently Asked Questions

What is the IUPAC name of (4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of (4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (CID 66884196) is (4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for (4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for (4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is COc1cncc(NC(=O)N2CC/C(=C\c3cccc(Oc4ccc(C(F)(F)F)nc4)c3)C(C)C2)n1.
What is the InChIKey of (4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is QBGQZBUYWJDVDP-VCHYOVAHSA-N. The full InChI is InChI=1S/C25H24F3N5O3/c1-16-15-33(24(34)32-22-13-29-14-23(31-22)35-2)9-8-18(16)10-17-4-3-5-19(11-17)36-20-6-7-21(30-12-20)25(26,27)28/h3-7,10-14,16H,8-9,15H2,1-2H3,(H,31,32,34)/b18-10+.
What are the key properties of (4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
(4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 499.49 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 66884196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).