3-(2-aminoethyl)-1H-indole-5-carboxamide

C11H13N3O — CID 1809

IUPAC3-(2-aminoethyl)-1H-indole-5-carboxamide
SMILESNCCc1c[nH]c2ccc(C(N)=O)cc12
InChIInChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
InChIKeyWKZLNEWVIAGNAW-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.77
Rot. Bonds3

About 3-(2-aminoethyl)-1H-indole-5-carboxamide

3-(2-aminoethyl)-1H-indole-5-carboxamide (PubChem CID 1809) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-indole-5-carboxamide
PubChem CID1809
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name3-(2-aminoethyl)-1H-indole-5-carboxamide
SMILESNCCc1c[nH]c2ccc(C(N)=O)cc12
InChIInChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
InChIKeyWKZLNEWVIAGNAW-UHFFFAOYSA-N
XLogP0.77
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-indole-5-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-1H-indole-5-carboxamide (CID 1809) is 3-(2-aminoethyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-1H-indole-5-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-1H-indole-5-carboxamide is NCCc1c[nH]c2ccc(C(N)=O)cc12.
What is the InChIKey of 3-(2-aminoethyl)-1H-indole-5-carboxamide?
The InChIKey is WKZLNEWVIAGNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15).
What are the key properties of 3-(2-aminoethyl)-1H-indole-5-carboxamide?
3-(2-aminoethyl)-1H-indole-5-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 1809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).