3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide

C12H13N3O2 — CID 173085414

IUPAC3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide
SMILESNC(=O)CCc1c(C(N)=O)[nH]c2ccccc12
InChIInChI=1S/C12H13N3O2/c13-10(16)6-5-8-7-3-1-2-4-9(7)15-11(8)12(14)17/h1-4,15H,5-6H2,(H2,13,16)(H2,14,17)
InChIKeyOIQAYOSYWVKKMJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.68
Rot. Bonds4

About 3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide

3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide (PubChem CID 173085414) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide
PubChem CID173085414
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide
SMILESNC(=O)CCc1c(C(N)=O)[nH]c2ccccc12
InChIInChI=1S/C12H13N3O2/c13-10(16)6-5-8-7-3-1-2-4-9(7)15-11(8)12(14)17/h1-4,15H,5-6H2,(H2,13,16)(H2,14,17)
InChIKeyOIQAYOSYWVKKMJ-UHFFFAOYSA-N
XLogP0.68
TPSA101.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-(3-amino-3-oxopropyl)-1H-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

Related Compounds

3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide
CID 175237247
3-benzyl-1H-indole-2-carboxamide
CID 70180298
3-(2-acetyl-1H-indol-3-yl)propanoic acid
CID 44720709
ethyl 3-(3-oxobutyl)-1H-indole-2-carboxylate
CID 11974884
3-(2-aminoethyl)-1H-indole-2-carboxylic acid;ethane
CID 90797708
2-carbamoyl-1H-indole-3-carboxylic acid
CID 83814167
3-(1-aminoethyl)-1H-indole-2-carboxamide
CID 163850890
2-(2-chloro-1H-indol-3-yl)acetamide
CID 21191872
2-(2-ethoxycarbonyl-1H-indol-3-yl)ethylazanium chloride
CID 16641200
N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide
CID 167105628
3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide
CID 173264410
ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate
CID 11747350

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide?
The IUPAC name of 3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide (CID 173085414) is 3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide is NC(=O)CCc1c(C(N)=O)[nH]c2ccccc12.
What is the InChIKey of 3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide?
The InChIKey is OIQAYOSYWVKKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-10(16)6-5-8-7-3-1-2-4-9(7)15-11(8)12(14)17/h1-4,15H,5-6H2,(H2,13,16)(H2,14,17).
What are the key properties of 3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide?
3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 173085414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).