6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide

C17H24F2N4O2 — CID 90203812

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
SMILESCC(C)(C)CNC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C17H24F2N4O2/c1-16(2,3)8-21-14(24)12-6-20-13(23-9-17(18,19)10-23)15(22-12)25-7-11-4-5-11/h6,11H,4-5,7-10H2,1-3H3,(H,21,24)
InChIKeyPTXFDUJKNULZCD-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.50
Rot. Bonds6

About 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide (PubChem CID 90203812) has the molecular formula C17H24F2N4O2 and a molecular weight of 354.40 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
PubChem CID90203812
Molecular FormulaC17H24F2N4O2
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
SMILESCC(C)(C)CNC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C17H24F2N4O2/c1-16(2,3)8-21-14(24)12-6-20-13(23-9-17(18,19)10-23)15(22-12)25-7-11-4-5-11/h6,11H,4-5,7-10H2,1-3H3,(H,21,24)
InChIKeyPTXFDUJKNULZCD-UHFFFAOYSA-N
XLogP2.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide (CID 90203812) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide is CC(C)(C)CNC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide?
The InChIKey is PTXFDUJKNULZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O2/c1-16(2,3)8-21-14(24)12-6-20-13(23-9-17(18,19)10-23)15(22-12)25-7-11-4-5-11/h6,11H,4-5,7-10H2,1-3H3,(H,21,24).
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 90203812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).