4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide

C25H23N3O4 — CID 84559868

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide
SMILESCc1ccccc1COc1cccnc1NC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H23N3O4/c1-17-8-2-3-9-18(17)16-32-21-12-6-14-26-23(21)27-22(29)13-7-15-28-24(30)19-10-4-5-11-20(19)25(28)31/h2-6,8-12,14H,7,13,15-16H2,1H3,(H,26,27,29)
InChIKeyWABVFVGAHVNLKT-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.98
Rot. Bonds8

About 4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide (PubChem CID 84559868) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide
PubChem CID84559868
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide
SMILESCc1ccccc1COc1cccnc1NC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H23N3O4/c1-17-8-2-3-9-18(17)16-32-21-12-6-14-26-23(21)27-22(29)13-7-15-28-24(30)19-10-4-5-11-20(19)25(28)31/h2-6,8-12,14H,7,13,15-16H2,1H3,(H,26,27,29)
InChIKeyWABVFVGAHVNLKT-UHFFFAOYSA-N
XLogP3.98
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]propanamide
CID 84559542
3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 4175653
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 84558977
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84560046
2-(4-chlorophenoxy)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84559835
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide
CID 55661422
11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide
CID 3362630
6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
CID 565136
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide
CID 84559658
4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide
CID 8503422
5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide
CID 84558997
(E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide
CID 84559480

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide (CID 84559868) is 4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide is Cc1ccccc1COc1cccnc1NC(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide?
The InChIKey is WABVFVGAHVNLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17-8-2-3-9-18(17)16-32-21-12-6-14-26-23(21)27-22(29)13-7-15-28-24(30)19-10-4-5-11-20(19)25(28)31/h2-6,8-12,14H,7,13,15-16H2,1H3,(H,26,27,29).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide has a molecular weight of 429.48 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide is sourced from PubChem (CID 84559868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).