5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide

C15H15F3N4O2 — CID 136554877

IUPAC5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)cn1
InChIInChI=1S/C15H15F3N4O2/c1-9-5-10(3-4-12(9)24-8-15(16,17)18)22-14(23)11-6-21-13(19-2)7-20-11/h3-7H,8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyVCVWBVIWQPLZBZ-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.02
Rot. Bonds5

About 5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide

5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 136554877) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
PubChem CID136554877
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)cn1
InChIInChI=1S/C15H15F3N4O2/c1-9-5-10(3-4-12(9)24-8-15(16,17)18)22-14(23)11-6-21-13(19-2)7-20-11/h3-7H,8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyVCVWBVIWQPLZBZ-UHFFFAOYSA-N
XLogP3.02
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634504
5-(methylamino)-N-pyridin-4-ylpyrazine-2-carboxamide
CID 107374325
N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 151815999
2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 111539254
N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374238
N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride
CID 175018147
1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119329926
5-(methylamino)-N-(4-propoxyphenyl)pyrazine-2-carboxamide
CID 107375410
5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685767
2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide
CID 111539253
1-(3-hydroxypropyl)-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 111437785
4-(aminomethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]oxane-4-carboxamide;hydrochloride
CID 120934021

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide (CID 136554877) is 5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide is CNc1cnc(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)cn1.
What is the InChIKey of 5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is VCVWBVIWQPLZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-9-5-10(3-4-12(9)24-8-15(16,17)18)22-14(23)11-6-21-13(19-2)7-20-11/h3-7H,8H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide?
5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 136554877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).