5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide

C14H19N3O — CID 63116873

IUPAC5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide
SMILESCC(C)CN(C)C(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C14H19N3O/c1-9(2)8-17(3)14(18)12-7-16-13-5-4-10(15)6-11(12)13/h4-7,9,16H,8,15H2,1-3H3
InChIKeyJBYXSSHORGPCOY-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.48
Rot. Bonds3

About 5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide

5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide (PubChem CID 63116873) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide
PubChem CID63116873
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide
SMILESCC(C)CN(C)C(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C14H19N3O/c1-9(2)8-17(3)14(18)12-7-16-13-5-4-10(15)6-11(12)13/h4-7,9,16H,8,15H2,1-3H3
InChIKeyJBYXSSHORGPCOY-UHFFFAOYSA-N
XLogP2.48
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.48
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-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide
CID 62334013
5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 63116787
5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide
CID 103106404
5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116844
5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide
CID 79383870
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide
CID 63117353
6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide
CID 61094974
6-amino-N-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-3-carboxamide
CID 63694066
5-amino-1H-indole-3-carboxylate
CID 36690512
methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate
CID 63116714
5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
CID 63116764
6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 79471867

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide (CID 63116873) is 5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide is CC(C)CN(C)C(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide?
The InChIKey is JBYXSSHORGPCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(2)8-17(3)14(18)12-7-16-13-5-4-10(15)6-11(12)13/h4-7,9,16H,8,15H2,1-3H3.
What are the key properties of 5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide?
5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 63116873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).