methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate

C20H25F2N3O5 — CID 71087347

IUPACmethyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2=O)c(OCC2CC2)n1)C(=O)OC
InChIInChI=1S/C20H25F2N3O5/c1-4-19(5-2,18(28)29-3)24-15(26)13-8-9-14(25-11-20(21,22)17(25)27)16(23-13)30-10-12-6-7-12/h8-9,12H,4-7,10-11H2,1-3H3,(H,24,26)
InChIKeyPGRHDYVHVBUKCR-UHFFFAOYSA-N
MW425.43 g/mol
LogP2.31
Rot. Bonds9

About methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate

methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate (PubChem CID 71087347) has the molecular formula C20H25F2N3O5 and a molecular weight of 425.43 g/mol. Its IUPAC name is methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
PubChem CID71087347
Molecular FormulaC20H25F2N3O5
Molecular Weight425.43 g/mol
Exact Mass425.18
IUPAC Namemethyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2=O)c(OCC2CC2)n1)C(=O)OC
InChIInChI=1S/C20H25F2N3O5/c1-4-19(5-2,18(28)29-3)24-15(26)13-8-9-14(25-11-20(21,22)17(25)27)16(23-13)30-10-12-6-7-12/h8-9,12H,4-7,10-11H2,1-3H3,(H,24,26)
InChIKeyPGRHDYVHVBUKCR-UHFFFAOYSA-N
XLogP2.31
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The IUPAC name of methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate (CID 71087347) is methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate.
What is the SMILES notation for methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The canonical SMILES for methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate is CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2=O)c(OCC2CC2)n1)C(=O)OC.
What is the InChIKey of methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The InChIKey is PGRHDYVHVBUKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O5/c1-4-19(5-2,18(28)29-3)24-15(26)13-8-9-14(25-11-20(21,22)17(25)27)16(23-13)30-10-12-6-7-12/h8-9,12H,4-7,10-11H2,1-3H3,(H,24,26).
What are the key properties of methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate has a molecular weight of 425.43 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoro-2-oxoazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate is sourced from PubChem (CID 71087347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).