3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione

C26H25N3O3 — CID 110575054

IUPAC3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
SMILESCC(C)Oc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(Cc3ccncc3)C2=O)cc1
InChIInChI=1S/C26H25N3O3/c1-18(2)32-22-11-9-20(10-12-22)23-24(28(3)21-7-5-4-6-8-21)26(31)29(25(23)30)17-19-13-15-27-16-14-19/h4-16,18H,17H2,1-3H3
InChIKeyOSVOEANVEUGYLB-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.29
Rot. Bonds7

About 3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione

3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione (PubChem CID 110575054) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
PubChem CID110575054
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
SMILESCC(C)Oc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(Cc3ccncc3)C2=O)cc1
InChIInChI=1S/C26H25N3O3/c1-18(2)32-22-11-9-20(10-12-22)23-24(28(3)21-7-5-4-6-8-21)26(31)29(25(23)30)17-19-13-15-27-16-14-19/h4-16,18H,17H2,1-3H3
InChIKeyOSVOEANVEUGYLB-UHFFFAOYSA-N
XLogP4.29
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(N-methylanilino)-1-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575529
1-(3-butoxypropyl)-3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575615
1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 53254380
1-benzyl-3-chloro-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110584457
1-[(4-fluorophenyl)methyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110559827
3-[2-hydroxyethyl(methyl)amino]-4-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110575021
1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110576010
1-benzyl-3-(3,4-dimethylphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110548758
3-[benzyl(ethyl)amino]-4-(4-ethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110546452
3-(N-methylanilino)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110572586
1-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110556703
3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110576170

Frequently Asked Questions

What is the IUPAC name of 3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione (CID 110575054) is 3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione is CC(C)Oc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(Cc3ccncc3)C2=O)cc1.
What is the InChIKey of 3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
The InChIKey is OSVOEANVEUGYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-18(2)32-22-11-9-20(10-12-22)23-24(28(3)21-7-5-4-6-8-21)26(31)29(25(23)30)17-19-13-15-27-16-14-19/h4-16,18H,17H2,1-3H3.
What are the key properties of 3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione has a molecular weight of 427.50 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110575054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).