N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide

C15H19N3O3 — CID 130426379

IUPACN-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1cc2cc(C)ccc2[nH]1)[C@@H](C)O
InChIInChI=1S/C15H19N3O3/c1-8-4-5-11-10(6-8)7-12(17-11)14(20)18-13(9(2)19)15(21)16-3/h4-7,9,13,17,19H,1-3H3,(H,16,21)(H,18,20)/t9-,13+/m1/s1
InChIKeyQMIWCDINTXLIHB-RNCFNFMXSA-N
MW289.34 g/mol
LogP0.70
Rot. Bonds4

About N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide

N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 130426379) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide
PubChem CID130426379
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1cc2cc(C)ccc2[nH]1)[C@@H](C)O
InChIInChI=1S/C15H19N3O3/c1-8-4-5-11-10(6-8)7-12(17-11)14(20)18-13(9(2)19)15(21)16-3/h4-7,9,13,17,19H,1-3H3,(H,16,21)(H,18,20)/t9-,13+/m1/s1
InChIKeyQMIWCDINTXLIHB-RNCFNFMXSA-N
XLogP0.70
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone
CID 82397100
N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 46588010
5-chloro-N-[(2S,3R)-3-hydroxy-1-oxo-1-(tridecylamino)butan-2-yl]-1H-indole-2-carboxamide
CID 130405471
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 113207145
N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 90111390
N-[1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 123483320
3-(5-methyl-1H-indol-2-yl)-3-oxopropanoic acid
CID 165356574
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide (CID 130426379) is N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1cc2cc(C)ccc2[nH]1)[C@@H](C)O.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is QMIWCDINTXLIHB-RNCFNFMXSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-8-4-5-11-10(6-8)7-12(17-11)14(20)18-13(9(2)19)15(21)16-3/h4-7,9,13,17,19H,1-3H3,(H,16,21)(H,18,20)/t9-,13+/m1/s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide?
N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 130426379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).