1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide

C17H21N3O2 — CID 136556715

IUPAC1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide
SMILESCC(C)Cn1ccc2c(C(=O)N3CC(C(N)=O)C3)cccc21
InChIInChI=1S/C17H21N3O2/c1-11(2)8-19-7-6-13-14(4-3-5-15(13)19)17(22)20-9-12(10-20)16(18)21/h3-7,11-12H,8-10H2,1-2H3,(H2,18,21)
InChIKeyYKPPNCCWFPIZSN-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.85
Rot. Bonds4

About 1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide

1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide (PubChem CID 136556715) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide
PubChem CID136556715
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide
SMILESCC(C)Cn1ccc2c(C(=O)N3CC(C(N)=O)C3)cccc21
InChIInChI=1S/C17H21N3O2/c1-11(2)8-19-7-6-13-14(4-3-5-15(13)19)17(22)20-9-12(10-20)16(18)21/h3-7,11-12H,8-10H2,1-2H3,(H2,18,21)
InChIKeyYKPPNCCWFPIZSN-UHFFFAOYSA-N
XLogP1.85
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide?
The IUPAC name of 1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide (CID 136556715) is 1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide?
The canonical SMILES for 1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide is CC(C)Cn1ccc2c(C(=O)N3CC(C(N)=O)C3)cccc21.
What is the InChIKey of 1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide?
The InChIKey is YKPPNCCWFPIZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11(2)8-19-7-6-13-14(4-3-5-15(13)19)17(22)20-9-12(10-20)16(18)21/h3-7,11-12H,8-10H2,1-2H3,(H2,18,21).
What are the key properties of 1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide?
1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)indole-4-carbonyl]azetidine-3-carboxamide is sourced from PubChem (CID 136556715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).