6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-2-carboxamide

C20H19F5N4O2 — CID 71105655

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-2-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C20H19F5N4O2/c21-19(22)10-29(11-19)15-7-6-14(27-18(15)31-9-12-4-5-12)17(30)28-16(20(23,24)25)13-3-1-2-8-26-13/h1-3,6-8,12,16H,4-5,9-11H2,(H,28,30)
InChIKeyGQUNMQSEAODYNV-UHFFFAOYSA-N
MW442.39 g/mol
LogP3.75
Rot. Bonds7

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

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-2-carboxamide (PubChem CID 71105655) has the molecular formula C20H19F5N4O2 and a molecular weight of 442.39 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-2-carboxamide
PubChem CID71105655
Molecular FormulaC20H19F5N4O2
Molecular Weight442.39 g/mol
Exact Mass442.14
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-2-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C20H19F5N4O2/c21-19(22)10-29(11-19)15-7-6-14(27-18(15)31-9-12-4-5-12)17(30)28-16(20(23,24)25)13-3-1-2-8-26-13/h1-3,6-8,12,16H,4-5,9-11H2,(H,28,30)
InChIKeyGQUNMQSEAODYNV-UHFFFAOYSA-N
XLogP3.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 53.75
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-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-2-carboxamide (CID 71105655) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-2-carboxamide is O=C(NC(c1ccccn1)C(F)(F)F)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-2-carboxamide?
The InChIKey is GQUNMQSEAODYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N4O2/c21-19(22)10-29(11-19)15-7-6-14(27-18(15)31-9-12-4-5-12)17(30)28-16(20(23,24)25)13-3-1-2-8-26-13/h1-3,6-8,12,16H,4-5,9-11H2,(H,28,30).
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-2-carboxamide has a molecular weight of 442.39 g/mol, XLogP of 3.75, 7 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-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 71105655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).