6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide

C13H17N3O2 — CID 61095149

IUPAC6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
SMILESCOCCCNC(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C13H17N3O2/c1-18-6-2-5-15-13(17)11-8-16-12-7-9(14)3-4-10(11)12/h3-4,7-8,16H,2,5-6,14H2,1H3,(H,15,17)
InChIKeyBAPQQQSFRKWZKF-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.52
Rot. Bonds5

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

6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide (PubChem CID 61095149) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
PubChem CID61095149
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
SMILESCOCCCNC(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C13H17N3O2/c1-18-6-2-5-15-13(17)11-8-16-12-7-9(14)3-4-10(11)12/h3-4,7-8,16H,2,5-6,14H2,1H3,(H,15,17)
InChIKeyBAPQQQSFRKWZKF-UHFFFAOYSA-N
XLogP1.52
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.52
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-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
2-methoxyethyl 6-amino-1H-indole-3-carboxylate
CID 61309847
6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide
CID 63824926
6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide
CID 61117894
6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496
5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide
CID 107316240
6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
CID 115405243
N-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
6-amino-N-(2-cyclohexylethyl)-1H-indole-3-carboxamide
CID 61103883
ethyl 4-[(5-amino-1H-indole-3-carbonyl)amino]butanoate
CID 64581541
6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide
CID 106163847
5-amino-N-pent-4-enyl-1H-indole-3-carboxamide
CID 114264539

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide (CID 61095149) is 6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide is COCCCNC(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide?
The InChIKey is BAPQQQSFRKWZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-18-6-2-5-15-13(17)11-8-16-12-7-9(14)3-4-10(11)12/h3-4,7-8,16H,2,5-6,14H2,1H3,(H,15,17).
What are the key properties of 6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide?
6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.52, 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-methoxypropyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 61095149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).