3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide

C15H14F3N5O2 — CID 38587212

IUPAC3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide
SMILESCN(Cc1cccc(NC(=O)c2nccnc2N)c1)C(=O)C(F)(F)F
InChIInChI=1S/C15H14F3N5O2/c1-23(14(25)15(16,17)18)8-9-3-2-4-10(7-9)22-13(24)11-12(19)21-6-5-20-11/h2-7H,8H2,1H3,(H2,19,21)(H,22,24)
InChIKeyXIGOIDYXRLVESQ-UHFFFAOYSA-N
MW353.30 g/mol
LogP1.83
Rot. Bonds4

About 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide

3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide (PubChem CID 38587212) has the molecular formula C15H14F3N5O2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide
PubChem CID38587212
Molecular FormulaC15H14F3N5O2
Molecular Weight353.30 g/mol
Exact Mass353.11
IUPAC Name3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide
SMILESCN(Cc1cccc(NC(=O)c2nccnc2N)c1)C(=O)C(F)(F)F
InChIInChI=1S/C15H14F3N5O2/c1-23(14(25)15(16,17)18)8-9-3-2-4-10(7-9)22-13(24)11-12(19)21-6-5-20-11/h2-7H,8H2,1H3,(H2,19,21)(H,22,24)
InChIKeyXIGOIDYXRLVESQ-UHFFFAOYSA-N
XLogP1.83
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 119294226
(2S)-2-amino-3,3-dimethyl-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 119732261
2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide
CID 119732257
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 119732275
1-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopropane-1-carboxamide
CID 119732241
3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide
CID 38613495
3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 46673484
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide
CID 119732249
2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119732278
3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212808
N-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 122150263
9-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985748

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide (CID 38587212) is 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide is CN(Cc1cccc(NC(=O)c2nccnc2N)c1)C(=O)C(F)(F)F.
What is the InChIKey of 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is XIGOIDYXRLVESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2/c1-23(14(25)15(16,17)18)8-9-3-2-4-10(7-9)22-13(24)11-12(19)21-6-5-20-11/h2-7H,8H2,1H3,(H2,19,21)(H,22,24).
What are the key properties of 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide?
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 38587212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).