6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide

C15H19N3O2 — CID 61126926

IUPAC6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NCCC3CCCO3)c[nH]c2c1
InChIInChI=1S/C15H19N3O2/c16-10-3-4-12-13(9-18-14(12)8-10)15(19)17-6-5-11-2-1-7-20-11/h3-4,8-9,11,18H,1-2,5-7,16H2,(H,17,19)
InChIKeyUUUCAXVSLBYILW-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.05
Rot. Bonds4

About 6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide

6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide (PubChem CID 61126926) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide
PubChem CID61126926
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NCCC3CCCO3)c[nH]c2c1
InChIInChI=1S/C15H19N3O2/c16-10-3-4-12-13(9-18-14(12)8-10)15(19)17-6-5-11-2-1-7-20-11/h3-4,8-9,11,18H,1-2,5-7,16H2,(H,17,19)
InChIKeyUUUCAXVSLBYILW-UHFFFAOYSA-N
XLogP2.05
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(2-cyclohexylethyl)-1H-indole-3-carboxamide
CID 61103883
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 61127124
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154926
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide
CID 80717046
6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide
CID 106163847
6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
5-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 61126144
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 60734395

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide (CID 61126926) is 6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide is Nc1ccc2c(C(=O)NCCC3CCCO3)c[nH]c2c1.
What is the InChIKey of 6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide?
The InChIKey is UUUCAXVSLBYILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-10-3-4-12-13(9-18-14(12)8-10)15(19)17-6-5-11-2-1-7-20-11/h3-4,8-9,11,18H,1-2,5-7,16H2,(H,17,19).
What are the key properties of 6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide?
6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 61126926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).