3-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide

C24H23N3O3 — CID 24761481

IUPAC3-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccc(C)cn2)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C24H23N3O3/c1-16-7-12-22(25-14-16)26-23(28)13-21(17-8-10-19(30-2)11-9-17)27-15-18-5-3-4-6-20(18)24(27)29/h3-12,14,21H,13,15H2,1-2H3,(H,25,26,28)
InChIKeyQXIJITNYCCMZDI-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.12
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide

3-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 24761481) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID24761481
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccc(C)cn2)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C24H23N3O3/c1-16-7-12-22(25-14-16)26-23(28)13-21(17-8-10-19(30-2)11-9-17)27-15-18-5-3-4-6-20(18)24(27)29/h3-12,14,21H,13,15H2,1-2H3,(H,25,26,28)
InChIKeyQXIJITNYCCMZDI-UHFFFAOYSA-N
XLogP4.12
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-3-yl)phenyl)imidazolidine-2,4-dione
CID 46934000
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
7-(4-Methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135489967
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-4-yl)phenyl)imidazolidine-2,4-dione
CID 49865045
4-ethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 803159
Nicotinamide, N-benzyl-2-(p-methoxyanilino)-
CID 1440879
4-methoxy-N-[(4-methylpyridin-2-yl)carbamoyl]benzamide
CID 1540545
Pyrrolo-pyrimidone, 4
CID 135874060
N-Benzyl-6-[(3-Endo)-3-{[(3-Methoxy-2-Methylphenyl)carbonyl]amino}-8-Azabicyclo[3.2.1]oct-8-Yl]pyridine-3-Carboxamide
CID 60147025
2-[(4-methoxybenzoyl)amino]-N-(2-pyridinyl)benzamide
CID 759561
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one
CID 2868335

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide (CID 24761481) is 3-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide is COc1ccc(C(CC(=O)Nc2ccc(C)cn2)N2Cc3ccccc3C2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is QXIJITNYCCMZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-16-7-12-22(25-14-16)26-23(28)13-21(17-8-10-19(30-2)11-9-17)27-15-18-5-3-4-6-20(18)24(27)29/h3-12,14,21H,13,15H2,1-2H3,(H,25,26,28).
What are the key properties of 3-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide?
3-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 401.47 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 24761481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).