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

C15H20N4O — CID 63116899

IUPAC5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide
SMILESCN1CCC(CNC(=O)c2c[nH]c3ccc(N)cc23)C1
InChIInChI=1S/C15H20N4O/c1-19-5-4-10(9-19)7-18-15(20)13-8-17-14-3-2-11(16)6-12(13)14/h2-3,6,8,10,17H,4-5,7,9,16H2,1H3,(H,18,20)
InChIKeyLOWVMIALHKOPJW-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.43
Rot. Bonds3

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

5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide (PubChem CID 63116899) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide
PubChem CID63116899
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide
SMILESCN1CCC(CNC(=O)c2c[nH]c3ccc(N)cc23)C1
InChIInChI=1S/C15H20N4O/c1-19-5-4-10(9-19)7-18-15(20)13-8-17-14-3-2-11(16)6-12(13)14/h2-3,6,8,10,17H,4-5,7,9,16H2,1H3,(H,18,20)
InChIKeyLOWVMIALHKOPJW-UHFFFAOYSA-N
XLogP1.43
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.43
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

5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide
CID 63116925
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116494
5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide
CID 63116756
5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 107416305
5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 63116868
N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide
CID 61381158
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide
CID 106770794
5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
CID 63116906
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide
CID 62160626
4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 166196381
4-hydrazinyl-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 113400240
5-amino-N-octan-2-yl-1H-indole-3-carboxamide
CID 63116814

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide (CID 63116899) is 5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide is CN1CCC(CNC(=O)c2c[nH]c3ccc(N)cc23)C1.
What is the InChIKey of 5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide?
The InChIKey is LOWVMIALHKOPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19-5-4-10(9-19)7-18-15(20)13-8-17-14-3-2-11(16)6-12(13)14/h2-3,6,8,10,17H,4-5,7,9,16H2,1H3,(H,18,20).
What are the key properties of 5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide?
5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 63116899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).