2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide

C14H16N4O2 — CID 43254827

IUPAC2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide
SMILESCc1ccc2c(c1)C(N)C(=O)N2CC(=O)NCCC#N
InChIInChI=1S/C14H16N4O2/c1-9-3-4-11-10(7-9)13(16)14(20)18(11)8-12(19)17-6-2-5-15/h3-4,7,13H,2,6,8,16H2,1H3,(H,17,19)
InChIKeyGTBSRIYCMYFSQK-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.37
Rot. Bonds4

About 2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide

2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide (PubChem CID 43254827) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide
PubChem CID43254827
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide
SMILESCc1ccc2c(c1)C(N)C(=O)N2CC(=O)NCCC#N
InChIInChI=1S/C14H16N4O2/c1-9-3-4-11-10(7-9)13(16)14(20)18(11)8-12(19)17-6-2-5-15/h3-4,7,13H,2,6,8,16H2,1H3,(H,17,19)
InChIKeyGTBSRIYCMYFSQK-UHFFFAOYSA-N
XLogP0.37
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-5-nitro-2-oxo-3H-indol-1-yl)-N-propylacetamide
CID 43254947
3-amino-1-[(E)-2-ethenylbut-2-enyl]-5-methyl-3H-indol-2-one
CID 76853938
2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide
CID 43255280
2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 43254761
2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide
CID 43254924
2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide
CID 43255085
3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one
CID 114994368
3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one
CID 43254795
N-(2-cyanoethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355949
3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one
CID 43254834
N-(2-cyanoethyl)-2-(2,5-dimethylanilino)acetamide
CID 28585854
2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide
CID 43255081

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide (CID 43254827) is 2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide is Cc1ccc2c(c1)C(N)C(=O)N2CC(=O)NCCC#N.
What is the InChIKey of 2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide?
The InChIKey is GTBSRIYCMYFSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-3-4-11-10(7-9)13(16)14(20)18(11)8-12(19)17-6-2-5-15/h3-4,7,13H,2,6,8,16H2,1H3,(H,17,19).
What are the key properties of 2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide?
2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide has a molecular weight of 272.31 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 43254827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).