2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid

C19H26F2N4O5 — CID 162622488

IUPAC2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
SMILESNC(=O)CC1(N)CCOC1.O=C(O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C13H14F2N2O3.C6H12N2O2/c14-13(15)6-17(7-13)10-4-3-9(12(18)19)16-11(10)20-5-8-1-2-8;7-5(9)3-6(8)1-2-10-4-6/h3-4,8H,1-2,5-7H2,(H,18,19);1-4,8H2,(H2,7,9)
InChIKeyXOVIYYXNBCDXBZ-UHFFFAOYSA-N
MW428.44 g/mol
LogP1.00
Rot. Bonds7

About 2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid

2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 162622488) has the molecular formula C19H26F2N4O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is 2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
PubChem CID162622488
Molecular FormulaC19H26F2N4O5
Molecular Weight428.44 g/mol
Exact Mass428.19
IUPAC Name2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
SMILESNC(=O)CC1(N)CCOC1.O=C(O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C13H14F2N2O3.C6H12N2O2/c14-13(15)6-17(7-13)10-4-3-9(12(18)19)16-11(10)20-5-8-1-2-8;7-5(9)3-6(8)1-2-10-4-6/h3-4,8H,1-2,5-7H2,(H,18,19);1-4,8H2,(H2,7,9)
InChIKeyXOVIYYXNBCDXBZ-UHFFFAOYSA-N
XLogP1.00
TPSA141.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid (CID 162622488) is 2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid is NC(=O)CC1(N)CCOC1.O=C(O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of 2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is XOVIYYXNBCDXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3.C6H12N2O2/c14-13(15)6-17(7-13)10-4-3-9(12(18)19)16-11(10)20-5-8-1-2-8;7-5(9)3-6(8)1-2-10-4-6/h3-4,8H,1-2,5-7H2,(H,18,19);1-4,8H2,(H2,7,9).
What are the key properties of 2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid?
2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 428.44 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 162622488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).