6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide

C13H17N3O2 — CID 107211217

IUPAC6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide
SMILESCC[C@H](CO)NC(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C13H17N3O2/c1-2-9(7-17)16-13(18)11-6-15-12-5-8(14)3-4-10(11)12/h3-6,9,15,17H,2,7,14H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyNRVARBGYJBSTOD-SECBINFHSA-N
MW247.30 g/mol
LogP1.25
Rot. Bonds4

About 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide

6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide (PubChem CID 107211217) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide
PubChem CID107211217
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide
SMILESCC[C@H](CO)NC(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C13H17N3O2/c1-2-9(7-17)16-13(18)11-6-15-12-5-8(14)3-4-10(11)12/h3-6,9,15,17H,2,7,14H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyNRVARBGYJBSTOD-SECBINFHSA-N
XLogP1.25
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.25
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

6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066
ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate
CID 61498215
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide
CID 107211238
5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 107211516
4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93081059
6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 106208056
6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
CID 115405243
5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 94177019
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
6-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-indole-3-carboxamide
CID 106387438
2-methoxyethyl 6-amino-1H-indole-3-carboxylate
CID 61309847

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide (CID 107211217) is 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide is CC[C@H](CO)NC(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide?
The InChIKey is NRVARBGYJBSTOD-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-9(7-17)16-13(18)11-6-15-12-5-8(14)3-4-10(11)12/h3-6,9,15,17H,2,7,14H2,1H3,(H,16,18)/t9-/m1/s1.
What are the key properties of 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide?
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 107211217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).