1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide

C20H26N4O3 — CID 10499403

IUPAC1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide
SMILESCC1CN1C1=CC(=O)c2c(cc(C(=O)NCCN3CCCCC3)n2C)C1=O
InChIInChI=1S/C20H26N4O3/c1-13-12-24(13)15-11-17(25)18-14(19(15)26)10-16(22(18)2)20(27)21-6-9-23-7-4-3-5-8-23/h10-11,13H,3-9,12H2,1-2H3,(H,21,27)
InChIKeyIYJKKFHZAPQMAW-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.21
Rot. Bonds5

About 1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide

1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide (PubChem CID 10499403) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide
PubChem CID10499403
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide
SMILESCC1CN1C1=CC(=O)c2c(cc(C(=O)NCCN3CCCCC3)n2C)C1=O
InChIInChI=1S/C20H26N4O3/c1-13-12-24(13)15-11-17(25)18-14(19(15)26)10-16(22(18)2)20(27)21-6-9-23-7-4-3-5-8-23/h10-11,13H,3-9,12H2,1-2H3,(H,21,27)
InChIKeyIYJKKFHZAPQMAW-UHFFFAOYSA-N
XLogP1.21
TPSA74.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide?
The IUPAC name of 1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide (CID 10499403) is 1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide.
What is the SMILES notation for 1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide?
The canonical SMILES for 1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide is CC1CN1C1=CC(=O)c2c(cc(C(=O)NCCN3CCCCC3)n2C)C1=O.
What is the InChIKey of 1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide?
The InChIKey is IYJKKFHZAPQMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-12-24(13)15-11-17(25)18-14(19(15)26)10-16(22(18)2)20(27)21-6-9-23-7-4-3-5-8-23/h10-11,13H,3-9,12H2,1-2H3,(H,21,27).
What are the key properties of 1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide?
1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylaziridin-1-yl)-4,7-dioxo-N-(2-piperidin-1-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 10499403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).