3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide

C13H14F2N4O2 — CID 128530458

IUPAC3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide
SMILESCC12CCN(C(=O)c3nccnc3C(N)=O)CC1C2(F)F
InChIInChI=1S/C13H14F2N4O2/c1-12-2-5-19(6-7(12)13(12,14)15)11(21)9-8(10(16)20)17-3-4-18-9/h3-4,7H,2,5-6H2,1H3,(H2,16,20)
InChIKeyVNPPPMDTVDOLGE-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.69
Rot. Bonds2

About 3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide

3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide (PubChem CID 128530458) has the molecular formula C13H14F2N4O2 and a molecular weight of 296.28 g/mol. Its IUPAC name is 3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide
PubChem CID128530458
Molecular FormulaC13H14F2N4O2
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide
SMILESCC12CCN(C(=O)c3nccnc3C(N)=O)CC1C2(F)F
InChIInChI=1S/C13H14F2N4O2/c1-12-2-5-19(6-7(12)13(12,14)15)11(21)9-8(10(16)20)17-3-4-18-9/h3-4,7H,2,5-6H2,1H3,(H2,16,20)
InChIKeyVNPPPMDTVDOLGE-UHFFFAOYSA-N
XLogP0.69
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 136566907
1-[(1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)ethanone
CID 125143627
(3-aminopyrazin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487560
5-chloro-2-[(1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 142516429
3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide
CID 136530088
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;dihydrochloride
CID 120807882
5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide
CID 122679232
3-methoxypyrazine-2-carboxamide
CID 12571039
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone;dihydrochloride
CID 120806144
(4-ethyl-4-methylpiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 55139224
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 110146810
(3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 104742371

Frequently Asked Questions

What is the IUPAC name of 3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide?
The IUPAC name of 3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide (CID 128530458) is 3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide is CC12CCN(C(=O)c3nccnc3C(N)=O)CC1C2(F)F.
What is the InChIKey of 3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide?
The InChIKey is VNPPPMDTVDOLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O2/c1-12-2-5-19(6-7(12)13(12,14)15)11(21)9-8(10(16)20)17-3-4-18-9/h3-4,7H,2,5-6H2,1H3,(H2,16,20).
What are the key properties of 3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide?
3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide is sourced from PubChem (CID 128530458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).