N-(2-hydroxypropyl)-2-methyl-4-[5-[1-[1-(1,2,4-oxadiazol-5-yl)butyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide

C25H31N5O4 — CID 90703370

IUPACN-(2-hydroxypropyl)-2-methyl-4-[5-[1-[1-(1,2,4-oxadiazol-5-yl)butyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide
SMILESCCCC(c1ncno1)N1CC(Oc2ccc(-c3ccc(C(=O)NCC(C)O)c(C)c3)nc2)C1
InChIInChI=1S/C25H31N5O4/c1-4-5-23(25-28-15-29-34-25)30-13-20(14-30)33-19-7-9-22(26-12-19)18-6-8-21(16(2)10-18)24(32)27-11-17(3)31/h6-10,12,15,17,20,23,31H,4-5,11,13-14H2,1-3H3,(H,27,32)
InChIKeyIJMLGJBKFSXPSP-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.16
Rot. Bonds10

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

N-(2-hydroxypropyl)-2-methyl-4-[5-[1-[1-(1,2,4-oxadiazol-5-yl)butyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide (PubChem CID 90703370) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-methyl-4-[5-[1-[1-(1,2,4-oxadiazol-5-yl)butyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-methyl-4-[5-[1-[1-(1,2,4-oxadiazol-5-yl)butyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide
PubChem CID90703370
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC NameN-(2-hydroxypropyl)-2-methyl-4-[5-[1-[1-(1,2,4-oxadiazol-5-yl)butyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide
SMILESCCCC(c1ncno1)N1CC(Oc2ccc(-c3ccc(C(=O)NCC(C)O)c(C)c3)nc2)C1
InChIInChI=1S/C25H31N5O4/c1-4-5-23(25-28-15-29-34-25)30-13-20(14-30)33-19-7-9-22(26-12-19)18-6-8-21(16(2)10-18)24(32)27-11-17(3)31/h6-10,12,15,17,20,23,31H,4-5,11,13-14H2,1-3H3,(H,27,32)
InChIKeyIJMLGJBKFSXPSP-UHFFFAOYSA-N
XLogP3.16
TPSA113.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-methyl-4-[5-[1-[1-(1,2,4-oxadiazol-5-yl)butyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
The IUPAC name of N-(2-hydroxypropyl)-2-methyl-4-[5-[1-[1-(1,2,4-oxadiazol-5-yl)butyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide (CID 90703370) is N-(2-hydroxypropyl)-2-methyl-4-[5-[1-[1-(1,2,4-oxadiazol-5-yl)butyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-methyl-4-[5-[1-[1-(1,2,4-oxadiazol-5-yl)butyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-methyl-4-[5-[1-[1-(1,2,4-oxadiazol-5-yl)butyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide is CCCC(c1ncno1)N1CC(Oc2ccc(-c3ccc(C(=O)NCC(C)O)c(C)c3)nc2)C1.
What is the InChIKey of N-(2-hydroxypropyl)-2-methyl-4-[5-[1-[1-(1,2,4-oxadiazol-5-yl)butyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
The InChIKey is IJMLGJBKFSXPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-4-5-23(25-28-15-29-34-25)30-13-20(14-30)33-19-7-9-22(26-12-19)18-6-8-21(16(2)10-18)24(32)27-11-17(3)31/h6-10,12,15,17,20,23,31H,4-5,11,13-14H2,1-3H3,(H,27,32).
What are the key properties of N-(2-hydroxypropyl)-2-methyl-4-[5-[1-[1-(1,2,4-oxadiazol-5-yl)butyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
N-(2-hydroxypropyl)-2-methyl-4-[5-[1-[1-(1,2,4-oxadiazol-5-yl)butyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide has a molecular weight of 465.55 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-methyl-4-[5-[1-[1-(1,2,4-oxadiazol-5-yl)butyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide is sourced from PubChem (CID 90703370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).