N-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-2-pyridinyl]azetidin-3-yl]phenyl]ethyl]acetamide

C22H24F3N3O2 — CID 123712174

IUPACN-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-2-pyridinyl]azetidin-3-yl]phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(C2CN(c3ncc(OCC4CC4(F)F)cc3F)C2)cc1
InChIInChI=1S/C22H24F3N3O2/c1-13(27-14(2)29)15-3-5-16(6-4-15)17-10-28(11-17)21-20(23)7-19(9-26-21)30-12-18-8-22(18,24)25/h3-7,9,13,17-18H,8,10-12H2,1-2H3,(H,27,29)
InChIKeyLXIAUMJNBXDACX-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.06
Rot. Bonds7

About N-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-2-pyridinyl]azetidin-3-yl]phenyl]ethyl]acetamide

N-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-2-pyridinyl]azetidin-3-yl]phenyl]ethyl]acetamide (PubChem CID 123712174) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is N-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-2-pyridinyl]azetidin-3-yl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-2-pyridinyl]azetidin-3-yl]phenyl]ethyl]acetamide
PubChem CID123712174
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC NameN-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-2-pyridinyl]azetidin-3-yl]phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(C2CN(c3ncc(OCC4CC4(F)F)cc3F)C2)cc1
InChIInChI=1S/C22H24F3N3O2/c1-13(27-14(2)29)15-3-5-16(6-4-15)17-10-28(11-17)21-20(23)7-19(9-26-21)30-12-18-8-22(18,24)25/h3-7,9,13,17-18H,8,10-12H2,1-2H3,(H,27,29)
InChIKeyLXIAUMJNBXDACX-UHFFFAOYSA-N
XLogP4.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-2-pyridinyl]azetidin-3-yl]phenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-2-pyridinyl]azetidin-3-yl]phenyl]ethyl]acetamide (CID 123712174) is N-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-2-pyridinyl]azetidin-3-yl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-2-pyridinyl]azetidin-3-yl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-2-pyridinyl]azetidin-3-yl]phenyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(C2CN(c3ncc(OCC4CC4(F)F)cc3F)C2)cc1.
What is the InChIKey of N-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-2-pyridinyl]azetidin-3-yl]phenyl]ethyl]acetamide?
The InChIKey is LXIAUMJNBXDACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c1-13(27-14(2)29)15-3-5-16(6-4-15)17-10-28(11-17)21-20(23)7-19(9-26-21)30-12-18-8-22(18,24)25/h3-7,9,13,17-18H,8,10-12H2,1-2H3,(H,27,29).
What are the key properties of N-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-2-pyridinyl]azetidin-3-yl]phenyl]ethyl]acetamide?
N-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-2-pyridinyl]azetidin-3-yl]phenyl]ethyl]acetamide has a molecular weight of 419.45 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-2-pyridinyl]azetidin-3-yl]phenyl]ethyl]acetamide is sourced from PubChem (CID 123712174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).