6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide

C16H22N4O — CID 61117894

IUPAC6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NCCCN3CCCC3)c[nH]c2c1
InChIInChI=1S/C16H22N4O/c17-12-4-5-13-14(11-19-15(13)10-12)16(21)18-6-3-9-20-7-1-2-8-20/h4-5,10-11,19H,1-3,6-9,17H2,(H,18,21)
InChIKeyQSNKCCYAMJKOOS-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.97
Rot. Bonds5

About 6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide

6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide (PubChem CID 61117894) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide
PubChem CID61117894
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NCCCN3CCCC3)c[nH]c2c1
InChIInChI=1S/C16H22N4O/c17-12-4-5-13-14(11-19-15(13)10-12)16(21)18-6-3-9-20-7-1-2-8-20/h4-5,10-11,19H,1-3,6-9,17H2,(H,18,21)
InChIKeyQSNKCCYAMJKOOS-UHFFFAOYSA-N
XLogP1.97
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
6-amino-N-(2-cyclohexylethyl)-1H-indole-3-carboxamide
CID 61103883
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496
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
5-amino-2-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62634342
6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide
CID 83012417
6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide
CID 63824926
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206353
2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride
CID 119885427

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide (CID 61117894) is 6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide is Nc1ccc2c(C(=O)NCCCN3CCCC3)c[nH]c2c1.
What is the InChIKey of 6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide?
The InChIKey is QSNKCCYAMJKOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-12-4-5-13-14(11-19-15(13)10-12)16(21)18-6-3-9-20-7-1-2-8-20/h4-5,10-11,19H,1-3,6-9,17H2,(H,18,21).
What are the key properties of 6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide?
6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 61117894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).