1-ethyl-5-(propanoylamino)indole-2-carboxamide

C14H17N3O2 — CID 90488702

IUPAC1-ethyl-5-(propanoylamino)indole-2-carboxamide
SMILESCCC(=O)Nc1ccc2c(c1)cc(C(N)=O)n2CC
InChIInChI=1S/C14H17N3O2/c1-3-13(18)16-10-5-6-11-9(7-10)8-12(14(15)19)17(11)4-2/h5-8H,3-4H2,1-2H3,(H2,15,19)(H,16,18)
InChIKeyCMUPQDBJNHAKMK-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.11
Rot. Bonds4

About 1-ethyl-5-(propanoylamino)indole-2-carboxamide

1-ethyl-5-(propanoylamino)indole-2-carboxamide (PubChem CID 90488702) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-ethyl-5-(propanoylamino)indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-(propanoylamino)indole-2-carboxamide
PubChem CID90488702
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-ethyl-5-(propanoylamino)indole-2-carboxamide
SMILESCCC(=O)Nc1ccc2c(c1)cc(C(N)=O)n2CC
InChIInChI=1S/C14H17N3O2/c1-3-13(18)16-10-5-6-11-9(7-10)8-12(14(15)19)17(11)4-2/h5-8H,3-4H2,1-2H3,(H2,15,19)(H,16,18)
InChIKeyCMUPQDBJNHAKMK-UHFFFAOYSA-N
XLogP2.11
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-5-(propanoylamino)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-ethyl-5-(propanoylamino)indole-2-carboxamide?
The IUPAC name of 1-ethyl-5-(propanoylamino)indole-2-carboxamide (CID 90488702) is 1-ethyl-5-(propanoylamino)indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-5-(propanoylamino)indole-2-carboxamide?
The canonical SMILES for 1-ethyl-5-(propanoylamino)indole-2-carboxamide is CCC(=O)Nc1ccc2c(c1)cc(C(N)=O)n2CC.
What is the InChIKey of 1-ethyl-5-(propanoylamino)indole-2-carboxamide?
The InChIKey is CMUPQDBJNHAKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-13(18)16-10-5-6-11-9(7-10)8-12(14(15)19)17(11)4-2/h5-8H,3-4H2,1-2H3,(H2,15,19)(H,16,18).
What are the key properties of 1-ethyl-5-(propanoylamino)indole-2-carboxamide?
1-ethyl-5-(propanoylamino)indole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(propanoylamino)indole-2-carboxamide is sourced from PubChem (CID 90488702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).