3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide

C17H18F3N3O — CID 56669294

IUPAC3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(C)CC(=O)NC(c1ccc(C(F)(F)F)cc1)c1cnccn1
InChIInChI=1S/C17H18F3N3O/c1-11(2)9-15(24)23-16(14-10-21-7-8-22-14)12-3-5-13(6-4-12)17(18,19)20/h3-8,10-11,16H,9H2,1-2H3,(H,23,24)
InChIKeyGQLBZZPBCZRMLI-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.75
Rot. Bonds5

About 3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide

3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 56669294) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID56669294
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(C)CC(=O)NC(c1ccc(C(F)(F)F)cc1)c1cnccn1
InChIInChI=1S/C17H18F3N3O/c1-11(2)9-15(24)23-16(14-10-21-7-8-22-14)12-3-5-13(6-4-12)17(18,19)20/h3-8,10-11,16H,9H2,1-2H3,(H,23,24)
InChIKeyGQLBZZPBCZRMLI-UHFFFAOYSA-N
XLogP3.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 56679470
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
cyclopropyl-[4-[[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone;hydrochloride
CID 56672798
N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 56661985
1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 55085542
N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105150068
2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 56665469
N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62763608
3-[3-[4-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221603
N-methyl-1-(4-propan-2-ylphenyl)-1-pyrazin-2-ylmethanamine
CID 55120381
N-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol
CID 156722043
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 56669294) is 3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide is CC(C)CC(=O)NC(c1ccc(C(F)(F)F)cc1)c1cnccn1.
What is the InChIKey of 3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is GQLBZZPBCZRMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-11(2)9-15(24)23-16(14-10-21-7-8-22-14)12-3-5-13(6-4-12)17(18,19)20/h3-8,10-11,16H,9H2,1-2H3,(H,23,24).
What are the key properties of 3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide?
3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 337.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 56669294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).