N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide

C14H12F3N3O2 — CID 47043769

IUPACN-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccc(OC(F)(F)F)cc1)c1cnccn1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)22-11-3-1-10(2-4-11)5-6-20-13(21)12-9-18-7-8-19-12/h1-4,7-9H,5-6H2,(H,20,21)
InChIKeyOIQHQXWVHSSZSM-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.35
Rot. Bonds5

About N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide

N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide (PubChem CID 47043769) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
PubChem CID47043769
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC NameN-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccc(OC(F)(F)F)cc1)c1cnccn1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)22-11-3-1-10(2-4-11)5-6-20-13(21)12-9-18-7-8-19-12/h1-4,7-9H,5-6H2,(H,20,21)
InChIKeyOIQHQXWVHSSZSM-UHFFFAOYSA-N
XLogP2.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688
N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 39559682
3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid
CID 63795096
N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 51091511
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 110795606
5-(methoxymethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78882053
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 155352273
4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 47043794
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 6498574

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide (CID 47043769) is N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide is O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cnccn1.
What is the InChIKey of N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The InChIKey is OIQHQXWVHSSZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c15-14(16,17)22-11-3-1-10(2-4-11)5-6-20-13(21)12-9-18-7-8-19-12/h1-4,7-9H,5-6H2,(H,20,21).
What are the key properties of N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide has a molecular weight of 311.26 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47043769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).