5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide

C15H19N3O2 — CID 63118181

IUPAC5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)NC3CCCCC3O)cc2c1
InChIInChI=1S/C15H19N3O2/c16-10-5-6-11-9(7-10)8-13(17-11)15(20)18-12-3-1-2-4-14(12)19/h5-8,12,14,17,19H,1-4,16H2,(H,18,20)
InChIKeyJAQMKYUSDLKSIR-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.78
Rot. Bonds2

About 5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide

5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide (PubChem CID 63118181) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide
PubChem CID63118181
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)NC3CCCCC3O)cc2c1
InChIInChI=1S/C15H19N3O2/c16-10-5-6-11-9(7-10)8-13(17-11)15(20)18-12-3-1-2-4-14(12)19/h5-8,12,14,17,19H,1-4,16H2,(H,18,20)
InChIKeyJAQMKYUSDLKSIR-UHFFFAOYSA-N
XLogP1.78
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 63117889
5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 63118303
5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
CID 62056992
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
CID 107211254
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide
CID 107211414
5-amino-N-(2-hydroxycyclohexyl)-1-benzothiophene-2-carboxamide
CID 62366799
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
cyclobutyl 5-amino-1H-indole-2-carboxylate
CID 107363368
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107211397
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-methyl-1H-indole-2-carboxamide
CID 11897305

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide (CID 63118181) is 5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide is Nc1ccc2[nH]c(C(=O)NC3CCCCC3O)cc2c1.
What is the InChIKey of 5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide?
The InChIKey is JAQMKYUSDLKSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-10-5-6-11-9(7-10)8-13(17-11)15(20)18-12-3-1-2-4-14(12)19/h5-8,12,14,17,19H,1-4,16H2,(H,18,20).
What are the key properties of 5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide?
5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63118181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).