N-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide

C24H23N3O4 — CID 131932528

IUPACN-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(Oc2cccc(OC)c2)nc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C24H23N3O4/c1-3-21(27-15-16-7-4-5-10-20(16)24(27)29)23(28)26-17-11-12-22(25-14-17)31-19-9-6-8-18(13-19)30-2/h4-14,21H,3,15H2,1-2H3,(H,26,28)
InChIKeyTUGMZPIMAAQZDN-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.26
Rot. Bonds7

About N-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide

N-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide (PubChem CID 131932528) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide
PubChem CID131932528
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(Oc2cccc(OC)c2)nc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C24H23N3O4/c1-3-21(27-15-16-7-4-5-10-20(16)24(27)29)23(28)26-17-11-12-22(25-14-17)31-19-9-6-8-18(13-19)30-2/h4-14,21H,3,15H2,1-2H3,(H,26,28)
InChIKeyTUGMZPIMAAQZDN-UHFFFAOYSA-N
XLogP4.26
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-methoxyphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688682
(2S)-N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688866
2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide
CID 56933248
N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277871
(2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92741995
3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 175744186
N-[6-(3-methoxyphenoxy)-3-pyridinyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 131925783
(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92742007
N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 134699772
(2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688907
(2S)-N-(2,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20862776
(3R)-3-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92691037

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The IUPAC name of N-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide (CID 131932528) is N-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide.
What is the SMILES notation for N-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The canonical SMILES for N-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide is CCC(C(=O)Nc1ccc(Oc2cccc(OC)c2)nc1)N1Cc2ccccc2C1=O.
What is the InChIKey of N-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The InChIKey is TUGMZPIMAAQZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-3-21(27-15-16-7-4-5-10-20(16)24(27)29)23(28)26-17-11-12-22(25-14-17)31-19-9-6-8-18(13-19)30-2/h4-14,21H,3,15H2,1-2H3,(H,26,28).
What are the key properties of N-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide?
N-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide has a molecular weight of 417.47 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide is sourced from PubChem (CID 131932528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).