1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione

C19H23N3O2 — CID 16760577

IUPAC1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione
SMILESCCCCCNC1=C(c2cn(C)c3ccccc23)C(=O)N(C)C1=O
InChIInChI=1S/C19H23N3O2/c1-4-5-8-11-20-17-16(18(23)22(3)19(17)24)14-12-21(2)15-10-7-6-9-13(14)15/h6-7,9-10,12,20H,4-5,8,11H2,1-3H3
InChIKeySGLOMINNEBLJFF-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.67
Rot. Bonds6

About 1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione

1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione (PubChem CID 16760577) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione
PubChem CID16760577
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione
SMILESCCCCCNC1=C(c2cn(C)c3ccccc23)C(=O)N(C)C1=O
InChIInChI=1S/C19H23N3O2/c1-4-5-8-11-20-17-16(18(23)22(3)19(17)24)14-12-21(2)15-10-7-6-9-13(14)15/h6-7,9-10,12,20H,4-5,8,11H2,1-3H3
InChIKeySGLOMINNEBLJFF-UHFFFAOYSA-N
XLogP2.67
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione?
The IUPAC name of 1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione (CID 16760577) is 1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione is CCCCCNC1=C(c2cn(C)c3ccccc23)C(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione?
The InChIKey is SGLOMINNEBLJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-5-8-11-20-17-16(18(23)22(3)19(17)24)14-12-21(2)15-10-7-6-9-13(14)15/h6-7,9-10,12,20H,4-5,8,11H2,1-3H3.
What are the key properties of 1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione?
1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione has a molecular weight of 325.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione is sourced from PubChem (CID 16760577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).