N-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide

C19H15F5N4O — CID 118378709

IUPACN-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESCCC1(C(F)(F)F)C=CCC(c2cnc(NC(=O)c3c(F)cncc3F)cn2)=C1
InChIInChI=1S/C19H15F5N4O/c1-2-18(19(22,23)24)5-3-4-11(6-18)14-9-27-15(10-26-14)28-17(29)16-12(20)7-25-8-13(16)21/h3,5-10H,2,4H2,1H3,(H,27,28,29)
InChIKeyUXJVSGPJFVYLTH-UHFFFAOYSA-N
MW410.35 g/mol
LogP4.70
Rot. Bonds4

About N-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide

N-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide (PubChem CID 118378709) has the molecular formula C19H15F5N4O and a molecular weight of 410.35 g/mol. Its IUPAC name is N-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
PubChem CID118378709
Molecular FormulaC19H15F5N4O
Molecular Weight410.35 g/mol
Exact Mass410.12
IUPAC NameN-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESCCC1(C(F)(F)F)C=CCC(c2cnc(NC(=O)c3c(F)cncc3F)cn2)=C1
InChIInChI=1S/C19H15F5N4O/c1-2-18(19(22,23)24)5-3-4-11(6-18)14-9-27-15(10-26-14)28-17(29)16-12(20)7-25-8-13(16)21/h3,5-10H,2,4H2,1H3,(H,27,28,29)
InChIKeyUXJVSGPJFVYLTH-UHFFFAOYSA-N
XLogP4.70
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 58683993
carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 161010800
N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazin-2-yl]-2,4,6-trifluorobenzamide
CID 154002740
N-[5-(5-cyano-2-methylphenyl)pyrazin-2-yl]-3-fluoro-5-methylpyridine-4-carboxamide
CID 70320228
ethenyl 3-[5-[(3,5-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidothioate
CID 70323306
ethenyl 3-[5-[(3,5-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate
CID 70320031
2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide
CID 59334266
N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 45275151
ethyl 4-chloro-3-[5-[(2,6-difluorobenzoyl)amino]pyrazin-2-yl]benzoate
CID 11625878
3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
CID 58683977
N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 123961804
N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 11589845

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The IUPAC name of N-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide (CID 118378709) is N-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide is CCC1(C(F)(F)F)C=CCC(c2cnc(NC(=O)c3c(F)cncc3F)cn2)=C1.
What is the InChIKey of N-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The InChIKey is UXJVSGPJFVYLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N4O/c1-2-18(19(22,23)24)5-3-4-11(6-18)14-9-27-15(10-26-14)28-17(29)16-12(20)7-25-8-13(16)21/h3,5-10H,2,4H2,1H3,(H,27,28,29).
What are the key properties of N-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
N-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide has a molecular weight of 410.35 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-ethyl-3-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide is sourced from PubChem (CID 118378709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).