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

C29H24F3N5O2 — CID 24968689

IUPACN-(5-phenylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESO=C(Nc1cnc(-c2ccccc2)cn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C29H24F3N5O2/c30-29(31,32)23-9-10-27(35-17-23)39-24-8-4-5-21(16-24)15-20-11-13-37(14-12-20)28(38)36-26-19-33-25(18-34-26)22-6-2-1-3-7-22/h1-10,15-19H,11-14H2,(H,34,36,38)
InChIKeyPEJIYXWMOVIONN-UHFFFAOYSA-N
MW531.54 g/mol
LogP7.06
Rot. Bonds5

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

N-(5-phenylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 24968689) has the molecular formula C29H24F3N5O2 and a molecular weight of 531.54 g/mol. Its IUPAC name is N-(5-phenylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-phenylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
PubChem CID24968689
Molecular FormulaC29H24F3N5O2
Molecular Weight531.54 g/mol
Exact Mass531.19
IUPAC NameN-(5-phenylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESO=C(Nc1cnc(-c2ccccc2)cn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C29H24F3N5O2/c30-29(31,32)23-9-10-27(35-17-23)39-24-8-4-5-21(16-24)15-20-11-13-37(14-12-20)28(38)36-26-19-33-25(18-34-26)22-6-2-1-3-7-22/h1-10,15-19H,11-14H2,(H,34,36,38)
InChIKeyPEJIYXWMOVIONN-UHFFFAOYSA-N
XLogP7.06
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.54
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of N-(5-phenylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (CID 24968689) is N-(5-phenylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for N-(5-phenylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for N-(5-phenylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is O=C(Nc1cnc(-c2ccccc2)cn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.
What is the InChIKey of N-(5-phenylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is PEJIYXWMOVIONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N5O2/c30-29(31,32)23-9-10-27(35-17-23)39-24-8-4-5-21(16-24)15-20-11-13-37(14-12-20)28(38)36-26-19-33-25(18-34-26)22-6-2-1-3-7-22/h1-10,15-19H,11-14H2,(H,34,36,38).
What are the key properties of N-(5-phenylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
N-(5-phenylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 531.54 g/mol, XLogP of 7.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 24968689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).