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

C24H29N5O3 — CID 59567879

IUPACN-ethyl-2-methyl-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)cc1C
InChIInChI=1S/C24H29N5O3/c1-5-25-24(30)20-8-6-17(10-16(20)4)21-9-7-18(11-26-21)31-19-12-29(13-19)14-22-27-23(15(2)3)28-32-22/h6-11,15,19H,5,12-14H2,1-4H3,(H,25,30)
InChIKeyUOMHWCVSWGEGNM-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.58
Rot. Bonds8

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

N-ethyl-2-methyl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide (PubChem CID 59567879) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-ethyl-2-methyl-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-methyl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide
PubChem CID59567879
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-ethyl-2-methyl-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)cc1C
InChIInChI=1S/C24H29N5O3/c1-5-25-24(30)20-8-6-17(10-16(20)4)21-9-7-18(11-26-21)31-19-12-29(13-19)14-22-27-23(15(2)3)28-32-22/h6-11,15,19H,5,12-14H2,1-4H3,(H,25,30)
InChIKeyUOMHWCVSWGEGNM-UHFFFAOYSA-N
XLogP3.58
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-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-methyl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide (CID 59567879) is N-ethyl-2-methyl-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-methyl-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-methyl-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)cc1C.
What is the InChIKey of N-ethyl-2-methyl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
The InChIKey is UOMHWCVSWGEGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-5-25-24(30)20-8-6-17(10-16(20)4)21-9-7-18(11-26-21)31-19-12-29(13-19)14-22-27-23(15(2)3)28-32-22/h6-11,15,19H,5,12-14H2,1-4H3,(H,25,30).
What are the key properties of N-ethyl-2-methyl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
N-ethyl-2-methyl-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 435.53 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-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 59567879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).