5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide

C17H25N3O — CID 63116738

IUPAC5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C17H25N3O/c1-16(2,3)10-17(4,5)20-15(21)13-9-19-14-7-6-11(18)8-12(13)14/h6-9,19H,10,18H2,1-5H3,(H,20,21)
InChIKeyGBMONZQMCHPBHD-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.69
Rot. Bonds3

About 5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide

5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide (PubChem CID 63116738) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide
PubChem CID63116738
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C17H25N3O/c1-16(2,3)10-17(4,5)20-15(21)13-9-19-14-7-6-11(18)8-12(13)14/h6-9,19H,10,18H2,1-5H3,(H,20,21)
InChIKeyGBMONZQMCHPBHD-UHFFFAOYSA-N
XLogP3.69
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide
CID 107150492
5-amino-1H-indole-3-carboxylate
CID 36690512
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
5-amino-N-phenyl-1H-indole-3-carboxamide
CID 63116510
5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide
CID 107316240
5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide
CID 63116925
5-amino-N-(2-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 63116828
5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
CID 63116906
5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide
CID 63117023
5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide
CID 79383870
5-amino-N-octan-2-yl-1H-indole-3-carboxamide
CID 63116814
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide
CID 63117028

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide (CID 63116738) is 5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide is CC(C)(C)CC(C)(C)NC(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide?
The InChIKey is GBMONZQMCHPBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-16(2,3)10-17(4,5)20-15(21)13-9-19-14-7-6-11(18)8-12(13)14/h6-9,19H,10,18H2,1-5H3,(H,20,21).
What are the key properties of 5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide?
5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 63116738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).