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

C25H23F3N4O2 — CID 24967993

IUPACN-(5-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1cncc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)c1
InChIInChI=1S/C25H23F3N4O2/c1-17-11-21(16-29-14-17)31-24(33)32-9-7-18(8-10-32)12-19-3-2-4-22(13-19)34-23-6-5-20(15-30-23)25(26,27)28/h2-6,11-16H,7-10H2,1H3,(H,31,33)
InChIKeyIVGOYEHCBQPHAP-UHFFFAOYSA-N
MW468.48 g/mol
LogP6.31
Rot. Bonds4

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

N-(5-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 24967993) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is N-(5-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
PubChem CID24967993
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC NameN-(5-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1cncc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)c1
InChIInChI=1S/C25H23F3N4O2/c1-17-11-21(16-29-14-17)31-24(33)32-9-7-18(8-10-32)12-19-3-2-4-22(13-19)34-23-6-5-20(15-30-23)25(26,27)28/h2-6,11-16H,7-10H2,1H3,(H,31,33)
InChIKeyIVGOYEHCBQPHAP-UHFFFAOYSA-N
XLogP6.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of N-(5-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (CID 24967993) is N-(5-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for N-(5-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is Cc1cncc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)c1.
What is the InChIKey of N-(5-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is IVGOYEHCBQPHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c1-17-11-21(16-29-14-17)31-24(33)32-9-7-18(8-10-32)12-19-3-2-4-22(13-19)34-23-6-5-20(15-30-23)25(26,27)28/h2-6,11-16H,7-10H2,1H3,(H,31,33).
What are the key properties of N-(5-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
N-(5-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 468.48 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-pyridinyl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 24967993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).