6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide

C17H23N3O — CID 63993854

IUPAC6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide
SMILESCC1CCC(NC(=O)c2c[nH]c3cc(N)ccc23)C(C)C1
InChIInChI=1S/C17H23N3O/c1-10-3-6-15(11(2)7-10)20-17(21)14-9-19-16-8-12(18)4-5-13(14)16/h4-5,8-11,15,19H,3,6-7,18H2,1-2H3,(H,20,21)
InChIKeyCBRLYBYYFORXHQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.30
Rot. Bonds2

About 6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide

6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide (PubChem CID 63993854) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide
PubChem CID63993854
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide
SMILESCC1CCC(NC(=O)c2c[nH]c3cc(N)ccc23)C(C)C1
InChIInChI=1S/C17H23N3O/c1-10-3-6-15(11(2)7-10)20-17(21)14-9-19-16-8-12(18)4-5-13(14)16/h4-5,8-11,15,19H,3,6-7,18H2,1-2H3,(H,20,21)
InChIKeyCBRLYBYYFORXHQ-UHFFFAOYSA-N
XLogP3.30
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-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

5-amino-N-(2,4-dimethylcyclohexyl)-1H-indazole-3-carboxamide
CID 63996231
6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide
CID 80717046
5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide
CID 63995040
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
CID 107211254
5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide
CID 63116925
6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide
CID 83012417
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066
6-amino-N-(2-cyclohexylethyl)-1H-indole-3-carboxamide
CID 61103883
4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide
CID 63999184
2-methoxyethyl 6-amino-1H-indole-3-carboxylate
CID 61309847
N-(2,4-dimethylcyclohexyl)-2-methyl-5-sulfanylbenzamide
CID 107030364
5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide
CID 63998181

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide (CID 63993854) is 6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide is CC1CCC(NC(=O)c2c[nH]c3cc(N)ccc23)C(C)C1.
What is the InChIKey of 6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide?
The InChIKey is CBRLYBYYFORXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-10-3-6-15(11(2)7-10)20-17(21)14-9-19-16-8-12(18)4-5-13(14)16/h4-5,8-11,15,19H,3,6-7,18H2,1-2H3,(H,20,21).
What are the key properties of 6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide?
6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 63993854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).