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

C13H10F3N3O2 — CID 37039688

IUPACN-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1cnccn1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)21-10-3-1-9(2-4-10)7-19-12(20)11-8-17-5-6-18-11/h1-6,8H,7H2,(H,19,20)
InChIKeyYYTWMKMWKQPUGA-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.31
Rot. Bonds4

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

N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 37039688) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
PubChem CID37039688
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC NameN-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1cnccn1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)21-10-3-1-9(2-4-10)7-19-12(20)11-8-17-5-6-18-11/h1-6,8H,7H2,(H,19,20)
InChIKeyYYTWMKMWKQPUGA-UHFFFAOYSA-N
XLogP2.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 47043769
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 171924976
N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide
CID 51317152
N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
CID 110471356
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 146193236
N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 51306029
N-(1H-pyrazol-4-ylmethyl)pyrazine-2-carboxamide
CID 60736174
2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 171928236
N-[(3,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 24746893
2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide (CID 37039688) is N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1cnccn1.
What is the InChIKey of N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is YYTWMKMWKQPUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c14-13(15,16)21-10-3-1-9(2-4-10)7-19-12(20)11-8-17-5-6-18-11/h1-6,8H,7H2,(H,19,20).
What are the key properties of N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide?
N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 297.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 37039688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).