6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide

C13H17N3O — CID 61094974

IUPAC6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide
SMILESCCCN(C)C(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C13H17N3O/c1-3-6-16(2)13(17)11-8-15-12-7-9(14)4-5-10(11)12/h4-5,7-8,15H,3,6,14H2,1-2H3
InChIKeyGVFOCEQLBRPUEA-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.23
Rot. Bonds3

About 6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide

6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide (PubChem CID 61094974) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide
PubChem CID61094974
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide
SMILESCCCN(C)C(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C13H17N3O/c1-3-6-16(2)13(17)11-8-15-12-7-9(14)4-5-10(11)12/h4-5,7-8,15H,3,6,14H2,1-2H3
InChIKeyGVFOCEQLBRPUEA-UHFFFAOYSA-N
XLogP2.23
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-3-carboxamide
CID 63694066
6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide
CID 62334013
6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 61095235
6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 114946750
6-amino-N-methyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 61095599
N-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide
CID 113206223
6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide
CID 61138342
6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 79471867
6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide
CID 61116492
6-amino-N,N-bis(cyanomethyl)-1H-indole-3-carboxamide
CID 61090071
5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide
CID 63116873
5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide
CID 54944712

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide (CID 61094974) is 6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide is CCCN(C)C(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide?
The InChIKey is GVFOCEQLBRPUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-6-16(2)13(17)11-8-15-12-7-9(14)4-5-10(11)12/h4-5,7-8,15H,3,6,14H2,1-2H3.
What are the key properties of 6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide?
6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide is sourced from PubChem (CID 61094974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).