3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide

C22H25N3O4 — CID 91764386

IUPAC3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide
SMILESO=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1
InChIInChI=1S/C22H25N3O4/c26-21(8-11-25-13-16-5-1-2-7-18(16)22(25)27)24-19-9-12-28-15-20(19)29-14-17-6-3-4-10-23-17/h1-7,10,19-20H,8-9,11-15H2,(H,24,26)/t19-,20-/m1/s1
InChIKeyAMKJQTUVCCMNAT-WOJBJXKFSA-N
MW395.46 g/mol
LogP1.92
Rot. Bonds7

About 3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide

3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide (PubChem CID 91764386) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide.

Molecular Properties

Compound Name3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide
PubChem CID91764386
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide
SMILESO=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1
InChIInChI=1S/C22H25N3O4/c26-21(8-11-25-13-16-5-1-2-7-18(16)22(25)27)24-19-9-12-28-15-20(19)29-14-17-6-3-4-10-23-17/h1-7,10,19-20H,8-9,11-15H2,(H,24,26)/t19-,20-/m1/s1
InChIKeyAMKJQTUVCCMNAT-WOJBJXKFSA-N
XLogP1.92
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide
CID 91766286
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91771200
3-pyridin-2-yl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 91783906
2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91767025
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide
CID 91759680
2-(1,3-benzodioxol-5-yl)-N-[3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 156609865
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2H-benzotriazole-5-carboxamide
CID 91772579
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91777996
2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91782411
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91769435
2-ethoxy-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyridine-3-carboxamide
CID 91764796
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide
CID 91764518

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide?
The IUPAC name of 3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide (CID 91764386) is 3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide.
What is the SMILES notation for 3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide?
The canonical SMILES for 3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide is O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1.
What is the InChIKey of 3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide?
The InChIKey is AMKJQTUVCCMNAT-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-21(8-11-25-13-16-5-1-2-7-18(16)22(25)27)24-19-9-12-28-15-20(19)29-14-17-6-3-4-10-23-17/h1-7,10,19-20H,8-9,11-15H2,(H,24,26)/t19-,20-/m1/s1.
What are the key properties of 3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide?
3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide has a molecular weight of 395.46 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide is sourced from PubChem (CID 91764386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).