N-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide

C26H25F3N4O — CID 89463588

IUPACN-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide
SMILESO=C(NC1CCC(=CCc2cccc(Cc3ccc(C(F)(F)F)cn3)c2)CC1)c1cnccn1
InChIInChI=1S/C26H25F3N4O/c27-26(28,29)21-8-11-23(32-16-21)15-20-3-1-2-19(14-20)5-4-18-6-9-22(10-7-18)33-25(34)24-17-30-12-13-31-24/h1-4,8,11-14,16-17,22H,5-7,9-10,15H2,(H,33,34)/b18-4-
InChIKeyJZLGHLCOYICRPI-LMXLVEHLSA-N
MW466.51 g/mol
LogP5.32
Rot. Bonds6

About N-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide

N-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide (PubChem CID 89463588) has the molecular formula C26H25F3N4O and a molecular weight of 466.51 g/mol. Its IUPAC name is N-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide
PubChem CID89463588
Molecular FormulaC26H25F3N4O
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC NameN-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide
SMILESO=C(NC1CCC(=CCc2cccc(Cc3ccc(C(F)(F)F)cn3)c2)CC1)c1cnccn1
InChIInChI=1S/C26H25F3N4O/c27-26(28,29)21-8-11-23(32-16-21)15-20-3-1-2-19(14-20)5-4-18-6-9-22(10-7-18)33-25(34)24-17-30-12-13-31-24/h1-4,8,11-14,16-17,22H,5-7,9-10,15H2,(H,33,34)/b18-4-
InChIKeyJZLGHLCOYICRPI-LMXLVEHLSA-N
XLogP5.32
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide (CID 89463588) is N-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide is O=C(NC1CCC(=CCc2cccc(Cc3ccc(C(F)(F)F)cn3)c2)CC1)c1cnccn1.
What is the InChIKey of N-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide?
The InChIKey is JZLGHLCOYICRPI-LMXLVEHLSA-N. The full InChI is InChI=1S/C26H25F3N4O/c27-26(28,29)21-8-11-23(32-16-21)15-20-3-1-2-19(14-20)5-4-18-6-9-22(10-7-18)33-25(34)24-17-30-12-13-31-24/h1-4,8,11-14,16-17,22H,5-7,9-10,15H2,(H,33,34)/b18-4-.
What are the key properties of N-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide?
N-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 89463588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).