3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

C26H25F3N4O2 — CID 66885297

IUPAC3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)C(C)C2)cn1
InChIInChI=1S/C26H25F3N4O2/c1-17-16-33(25(34)32-22-8-6-18(2)30-15-22)11-10-20(17)12-19-4-3-5-23(13-19)35-24-9-7-21(14-31-24)26(27,28)29/h3-9,12-15,17H,10-11,16H2,1-2H3,(H,32,34)
InChIKeyFHPPVNVSQXIUGH-UHFFFAOYSA-N
MW482.51 g/mol
LogP6.55
Rot. Bonds4

About 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 66885297) has the molecular formula C26H25F3N4O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
PubChem CID66885297
Molecular FormulaC26H25F3N4O2
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC Name3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)C(C)C2)cn1
InChIInChI=1S/C26H25F3N4O2/c1-17-16-33(25(34)32-22-8-6-18(2)30-15-22)11-10-20(17)12-19-4-3-5-23(13-19)35-24-9-7-21(14-31-24)26(27,28)29/h3-9,12-15,17H,10-11,16H2,1-2H3,(H,32,34)
InChIKeyFHPPVNVSQXIUGH-UHFFFAOYSA-N
XLogP6.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.51
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (CID 66885297) is 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)C(C)C2)cn1.
What is the InChIKey of 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is FHPPVNVSQXIUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2/c1-17-16-33(25(34)32-22-8-6-18(2)30-15-22)11-10-20(17)12-19-4-3-5-23(13-19)35-24-9-7-21(14-31-24)26(27,28)29/h3-9,12-15,17H,10-11,16H2,1-2H3,(H,32,34).
What are the key properties of 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 482.51 g/mol, XLogP of 6.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 66885297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).