N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide

C19H23N3O3 — CID 91843290

IUPACN-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2CC(c3ccccn3)C2)c1
InChIInChI=1S/C19H23N3O3/c1-24-15-6-7-18(25-2)17(11-15)21-19(23)8-10-22-12-14(13-22)16-5-3-4-9-20-16/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H,21,23)
InChIKeyCQUOCZXKFNFWLW-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.53
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide

N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide (PubChem CID 91843290) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide
PubChem CID91843290
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2CC(c3ccccn3)C2)c1
InChIInChI=1S/C19H23N3O3/c1-24-15-6-7-18(25-2)17(11-15)21-19(23)8-10-22-12-14(13-22)16-5-3-4-9-20-16/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H,21,23)
InChIKeyCQUOCZXKFNFWLW-UHFFFAOYSA-N
XLogP2.53
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 739992
3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 109018366
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 3241935
N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033777
N-(2,5-dimethoxyphenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202613
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614
N-(2,5-dimethoxyphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide
CID 121116983
3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride
CID 53350774
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
N-(2,5-dimethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17438834
N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 92594692

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide (CID 91843290) is N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide is COc1ccc(OC)c(NC(=O)CCN2CC(c3ccccn3)C2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide?
The InChIKey is CQUOCZXKFNFWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-15-6-7-18(25-2)17(11-15)21-19(23)8-10-22-12-14(13-22)16-5-3-4-9-20-16/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide?
N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide has a molecular weight of 341.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide is sourced from PubChem (CID 91843290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).