5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide

C15H19N3O2 — CID 107211254

IUPAC5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)N[C@H]3CCCC[C@@H]3O)c2c1
InChIInChI=1S/C15H19N3O2/c16-9-5-6-12-10(7-9)11(8-17-12)15(20)18-13-3-1-2-4-14(13)19/h5-8,13-14,17,19H,1-4,16H2,(H,18,20)/t13-,14-/m0/s1
InChIKeyCECMLNAMSJZWGK-KBPBESRZSA-N
MW273.34 g/mol
LogP1.78
Rot. Bonds2

About 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide

5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide (PubChem CID 107211254) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
PubChem CID107211254
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)N[C@H]3CCCC[C@@H]3O)c2c1
InChIInChI=1S/C15H19N3O2/c16-9-5-6-12-10(7-9)11(8-17-12)15(20)18-13-3-1-2-4-14(13)19/h5-8,13-14,17,19H,1-4,16H2,(H,18,20)/t13-,14-/m0/s1
InChIKeyCECMLNAMSJZWGK-KBPBESRZSA-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

N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120
5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide
CID 63116925
N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide
CID 104927982
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 63118181
5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide
CID 25362200
4,5-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
CID 122413541
5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 107416305
N-(2-hydroxycyclohexyl)-1H-indole-4-carboxamide
CID 62366462
5-bromo-N-cyclopentyl-1H-indole-3-carboxamide
CID 172654540
5-amino-N-phenyl-1H-indole-3-carboxamide
CID 63116510
N-(2-aminocyclopentyl)-1H-indole-3-carboxamide
CID 63251414

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide (CID 107211254) is 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide is Nc1ccc2[nH]cc(C(=O)N[C@H]3CCCC[C@@H]3O)c2c1.
What is the InChIKey of 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide?
The InChIKey is CECMLNAMSJZWGK-KBPBESRZSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-9-5-6-12-10(7-9)11(8-17-12)15(20)18-13-3-1-2-4-14(13)19/h5-8,13-14,17,19H,1-4,16H2,(H,18,20)/t13-,14-/m0/s1.
What are the key properties of 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide?
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-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-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 107211254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).