N-ethyl-2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide

C23H26FN5O3 — CID 25264639

IUPACN-ethyl-2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide
SMILESCCNC(=O)c1ccc(-c2ccc(OC3CN(Cc4nc(C(C)C)no4)C3)cn2)cc1F
InChIInChI=1S/C23H26FN5O3/c1-4-25-23(30)18-7-5-15(9-19(18)24)20-8-6-16(10-26-20)31-17-11-29(12-17)13-21-27-22(14(2)3)28-32-21/h5-10,14,17H,4,11-13H2,1-3H3,(H,25,30)
InChIKeyKGGPSDPJZPSDIE-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.41
Rot. Bonds8

About N-ethyl-2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide

N-ethyl-2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide (PubChem CID 25264639) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is N-ethyl-2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide
PubChem CID25264639
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC NameN-ethyl-2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide
SMILESCCNC(=O)c1ccc(-c2ccc(OC3CN(Cc4nc(C(C)C)no4)C3)cn2)cc1F
InChIInChI=1S/C23H26FN5O3/c1-4-25-23(30)18-7-5-15(9-19(18)24)20-8-6-16(10-26-20)31-17-11-29(12-17)13-21-27-22(14(2)3)28-32-21/h5-10,14,17H,4,11-13H2,1-3H3,(H,25,30)
InChIKeyKGGPSDPJZPSDIE-UHFFFAOYSA-N
XLogP3.41
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
The IUPAC name of N-ethyl-2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide (CID 25264639) is N-ethyl-2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
The canonical SMILES for N-ethyl-2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide is CCNC(=O)c1ccc(-c2ccc(OC3CN(Cc4nc(C(C)C)no4)C3)cn2)cc1F.
What is the InChIKey of N-ethyl-2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
The InChIKey is KGGPSDPJZPSDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-4-25-23(30)18-7-5-15(9-19(18)24)20-8-6-16(10-26-20)31-17-11-29(12-17)13-21-27-22(14(2)3)28-32-21/h5-10,14,17H,4,11-13H2,1-3H3,(H,25,30).
What are the key properties of N-ethyl-2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
N-ethyl-2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide has a molecular weight of 439.49 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide is sourced from PubChem (CID 25264639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).