N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide

C13H17N3O2 — CID 64540806

IUPACN-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
SMILESCC(O)C(N)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O2/c1-8(17)11(14)7-16-13(18)10-6-15-12-5-3-2-4-9(10)12/h2-6,8,11,15,17H,7,14H2,1H3,(H,16,18)
InChIKeyOJJBULQFNJTCDO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.61
Rot. Bonds4

About N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide

N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide (PubChem CID 64540806) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
PubChem CID64540806
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
SMILESCC(O)C(N)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O2/c1-8(17)11(14)7-16-13(18)10-6-15-12-5-3-2-4-9(10)12/h2-6,8,11,15,17H,7,14H2,1H3,(H,16,18)
InChIKeyOJJBULQFNJTCDO-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
CID 66109223
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700
N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 64539569
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
CID 79547180
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
3-amino-1-(1H-indol-3-yl)butan-1-one
CID 116915601
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid
CID 107831836

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide (CID 64540806) is N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide is CC(O)C(N)CNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide?
The InChIKey is OJJBULQFNJTCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(17)11(14)7-16-13(18)10-6-15-12-5-3-2-4-9(10)12/h2-6,8,11,15,17H,7,14H2,1H3,(H,16,18).
What are the key properties of N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide?
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 64540806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).