5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide

C16H22N4O — CID 63116494

IUPAC5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C16H22N4O/c1-2-20-7-3-4-12(20)9-19-16(21)14-10-18-15-6-5-11(17)8-13(14)15/h5-6,8,10,12,18H,2-4,7,9,17H2,1H3,(H,19,21)
InChIKeyMRQYBLBRBWAVSL-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.96
Rot. Bonds4

About 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide

5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide (PubChem CID 63116494) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide
PubChem CID63116494
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C16H22N4O/c1-2-20-7-3-4-12(20)9-19-16(21)14-10-18-15-6-5-11(17)8-13(14)15/h5-6,8,10,12,18H,2-4,7,9,17H2,1H3,(H,19,21)
InChIKeyMRQYBLBRBWAVSL-UHFFFAOYSA-N
XLogP1.96
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.96
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-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141109799
5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide
CID 63116899
5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 107416305
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298
5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120646104
5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide
CID 63116756
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853
2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide (CID 63116494) is 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide is CCN1CCCC1CNC(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide?
The InChIKey is MRQYBLBRBWAVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-20-7-3-4-12(20)9-19-16(21)14-10-18-15-6-5-11(17)8-13(14)15/h5-6,8,10,12,18H,2-4,7,9,17H2,1H3,(H,19,21).
What are the key properties of 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide?
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 63116494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).