6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide

C17H21F2N3O3 — CID 71105753

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)COC1
InChIInChI=1S/C17H21F2N3O3/c1-16(9-24-10-16)21-14(23)12-4-5-13(22-7-17(18,19)8-22)15(20-12)25-6-11-2-3-11/h4-5,11H,2-3,6-10H2,1H3,(H,21,23)
InChIKeyIMVAJPMCOJGEGW-UHFFFAOYSA-N
MW353.37 g/mol
LogP1.84
Rot. Bonds6

About 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide (PubChem CID 71105753) has the molecular formula C17H21F2N3O3 and a molecular weight of 353.37 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide
PubChem CID71105753
Molecular FormulaC17H21F2N3O3
Molecular Weight353.37 g/mol
Exact Mass353.16
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)COC1
InChIInChI=1S/C17H21F2N3O3/c1-16(9-24-10-16)21-14(23)12-4-5-13(22-7-17(18,19)8-22)15(20-12)25-6-11-2-3-11/h4-5,11H,2-3,6-10H2,1H3,(H,21,23)
InChIKeyIMVAJPMCOJGEGW-UHFFFAOYSA-N
XLogP1.84
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 51.84
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-(3-methyloxetan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide (CID 71105753) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide is CC1(NC(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)COC1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide?
The InChIKey is IMVAJPMCOJGEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O3/c1-16(9-24-10-16)21-14(23)12-4-5-13(22-7-17(18,19)8-22)15(20-12)25-6-11-2-3-11/h4-5,11H,2-3,6-10H2,1H3,(H,21,23).
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 1.84, 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-(3-methyloxetan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 71105753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).