6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethyl-N-propan-2-ylpyrazine-2-carboxamide

C17H24F2N4O2 — CID 90203405

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethyl-N-propan-2-ylpyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)C
InChIInChI=1S/C17H24F2N4O2/c1-4-23(11(2)3)16(24)13-7-20-14(22-9-17(18,19)10-22)15(21-13)25-8-12-5-6-12/h7,11-12H,4-6,8-10H2,1-3H3
InChIKeyDQGNFQJJQBUCMP-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.59
Rot. Bonds7

About 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethyl-N-propan-2-ylpyrazine-2-carboxamide

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethyl-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 90203405) 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-ethyl-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethyl-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID90203405
Molecular FormulaC17H24F2N4O2
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethyl-N-propan-2-ylpyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)C
InChIInChI=1S/C17H24F2N4O2/c1-4-23(11(2)3)16(24)13-7-20-14(22-9-17(18,19)10-22)15(21-13)25-8-12-5-6-12/h7,11-12H,4-6,8-10H2,1-3H3
InChIKeyDQGNFQJJQBUCMP-UHFFFAOYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
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-ethyl-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethyl-N-propan-2-ylpyrazine-2-carboxamide (CID 90203405) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethyl-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethyl-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethyl-N-propan-2-ylpyrazine-2-carboxamide is CCN(C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)C.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethyl-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is DQGNFQJJQBUCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O2/c1-4-23(11(2)3)16(24)13-7-20-14(22-9-17(18,19)10-22)15(21-13)25-8-12-5-6-12/h7,11-12H,4-6,8-10H2,1-3H3.
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethyl-N-propan-2-ylpyrazine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethyl-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 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-ethyl-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 90203405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).