3-(1-aminoethyl)-1H-indole-2-carboxamide

C11H13N3O — CID 163850890

IUPAC3-(1-aminoethyl)-1H-indole-2-carboxamide
SMILESCC(N)c1c(C(N)=O)[nH]c2ccccc12
InChIInChI=1S/C11H13N3O/c1-6(12)9-7-4-2-3-5-8(7)14-10(9)11(13)15/h2-6,14H,12H2,1H3,(H2,13,15)
InChIKeyOUFXPZJZXAWZKJ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.29
Rot. Bonds2

About 3-(1-aminoethyl)-1H-indole-2-carboxamide

3-(1-aminoethyl)-1H-indole-2-carboxamide (PubChem CID 163850890) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-1H-indole-2-carboxamide
PubChem CID163850890
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-(1-aminoethyl)-1H-indole-2-carboxamide
SMILESCC(N)c1c(C(N)=O)[nH]c2ccccc12
InChIInChI=1S/C11H13N3O/c1-6(12)9-7-4-2-3-5-8(7)14-10(9)11(13)15/h2-6,14H,12H2,1H3,(H2,13,15)
InChIKeyOUFXPZJZXAWZKJ-UHFFFAOYSA-N
XLogP1.29
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-carbamoyl-1H-indole-3-carboxylic acid
CID 83814167
3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide
CID 175804937
3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide
CID 173085414
2-amino-2-(2-methyl-1H-indol-3-yl)acetamide
CID 116850760
3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide
CID 175237247
3-[1-(dimethylamino)ethyl]-1H-indole-2-carboxylic acid
CID 54302690
9H-carbazole;prop-2-enamide
CID 174545742
3-benzyl-1H-indole-2-carboxamide
CID 70180298
9H-carbazole;propanoic acid
CID 68841226
9H-carbazole;carbonic acid
CID 67577328
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
ethyl 3-(1,2-dihydroxyethyl)-1H-indole-2-carboxylate
CID 100944788

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1H-indole-2-carboxamide?
The IUPAC name of 3-(1-aminoethyl)-1H-indole-2-carboxamide (CID 163850890) is 3-(1-aminoethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(1-aminoethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-(1-aminoethyl)-1H-indole-2-carboxamide is CC(N)c1c(C(N)=O)[nH]c2ccccc12.
What is the InChIKey of 3-(1-aminoethyl)-1H-indole-2-carboxamide?
The InChIKey is OUFXPZJZXAWZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-6(12)9-7-4-2-3-5-8(7)14-10(9)11(13)15/h2-6,14H,12H2,1H3,(H2,13,15).
What are the key properties of 3-(1-aminoethyl)-1H-indole-2-carboxamide?
3-(1-aminoethyl)-1H-indole-2-carboxamide has a molecular weight of 203.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 163850890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).