6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide

C13H18N4O — CID 86759764

IUPAC6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2ccc(N)cc2[nH]1
InChIInChI=1S/C13H18N4O/c1-17(2)6-5-15-13(18)12-7-9-3-4-10(14)8-11(9)16-12/h3-4,7-8,16H,5-6,14H2,1-2H3,(H,15,18)
InChIKeyOIXXKWYQVWHLRR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.04
Rot. Bonds4

About 6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide

6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide (PubChem CID 86759764) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide
PubChem CID86759764
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2ccc(N)cc2[nH]1
InChIInChI=1S/C13H18N4O/c1-17(2)6-5-15-13(18)12-7-9-3-4-10(14)8-11(9)16-12/h3-4,7-8,16H,5-6,14H2,1-2H3,(H,15,18)
InChIKeyOIXXKWYQVWHLRR-UHFFFAOYSA-N
XLogP1.04
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
CID 113207116
5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
CID 113479607
2-[[5-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carbonyl]amino]ethylcarbamic acid
CID 135122252
5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 113465240
2-(6-aminoquinolin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 82547358
4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide
CID 51362206
5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine
CID 163474124
4-amino-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 62154340
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide
CID 63118430
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
CID 62056992

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide (CID 86759764) is 6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide is CN(C)CCNC(=O)c1cc2ccc(N)cc2[nH]1.
What is the InChIKey of 6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide?
The InChIKey is OIXXKWYQVWHLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17(2)6-5-15-13(18)12-7-9-3-4-10(14)8-11(9)16-12/h3-4,7-8,16H,5-6,14H2,1-2H3,(H,15,18).
What are the key properties of 6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide?
6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.04, 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-(dimethylamino)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 86759764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).