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

C16H19N3O — CID 106163847

IUPAC6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NCCC3=CCCC3)c[nH]c2c1
InChIInChI=1S/C16H19N3O/c17-12-5-6-13-14(10-19-15(13)9-12)16(20)18-8-7-11-3-1-2-4-11/h3,5-6,9-10,19H,1-2,4,7-8,17H2,(H,18,20)
InChIKeyDCRKDGZMUPXXMV-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.98
Rot. Bonds4

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

6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide (PubChem CID 106163847) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide
PubChem CID106163847
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NCCC3=CCCC3)c[nH]c2c1
InChIInChI=1S/C16H19N3O/c17-12-5-6-13-14(10-19-15(13)9-12)16(20)18-8-7-11-3-1-2-4-11/h3,5-6,9-10,19H,1-2,4,7-8,17H2,(H,18,20)
InChIKeyDCRKDGZMUPXXMV-UHFFFAOYSA-N
XLogP2.98
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide
CID 63116817
6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496
N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206869
6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide
CID 61117894
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide
CID 61126926
6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
CID 115405243
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209364
4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide
CID 103843001
5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 107183912
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
CID 62072440

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide (CID 106163847) is 6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide is Nc1ccc2c(C(=O)NCCC3=CCCC3)c[nH]c2c1.
What is the InChIKey of 6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide?
The InChIKey is DCRKDGZMUPXXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-12-5-6-13-14(10-19-15(13)9-12)16(20)18-8-7-11-3-1-2-4-11/h3,5-6,9-10,19H,1-2,4,7-8,17H2,(H,18,20).
What are the key properties of 6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide?
6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 106163847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).