N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide

C15H16N4O2 — CID 99632176

IUPACN'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide
SMILESC[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C15H16N4O2/c1-10(6-8-16)19(2)15(21)14(20)18-13-5-3-4-12-11(13)7-9-17-12/h3-5,7,9-10,17H,6H2,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyJKZHGFDXHIKXSG-JTQLQIEISA-N
MW284.32 g/mol
LogP1.87
Rot. Bonds3

About N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide

N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide (PubChem CID 99632176) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide.

Molecular Properties

Compound NameN'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide
PubChem CID99632176
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide
SMILESC[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C15H16N4O2/c1-10(6-8-16)19(2)15(21)14(20)18-13-5-3-4-12-11(13)7-9-17-12/h3-5,7,9-10,17H,6H2,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyJKZHGFDXHIKXSG-JTQLQIEISA-N
XLogP1.87
TPSA88.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-N'-[(2S)-1-cyanopropan-2-yl]-N'-methyloxamide
CID 129381790
N-(2-bromo-5-fluorophenyl)-N'-(1-cyanopropan-2-yl)-N'-methyloxamide
CID 119044037
N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide
CID 129381802
N'-[(2R)-1-cyanopropan-2-yl]-N'-methyl-N-[3-(2,2,2-trifluoroethyl)phenyl]oxamide
CID 99631966
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide
CID 110470939
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
propane;N-prop-1-en-2-yl-1H-indol-4-amine
CID 143997760
1-(1H-indol-4-yl)-3-pentylurea
CID 51132800
N'-(1-cyanopropan-2-yl)-N'-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 119044033
N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239638

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide?
The IUPAC name of N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide (CID 99632176) is N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide.
What is the SMILES notation for N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide?
The canonical SMILES for N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide is C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cccc2[nH]ccc12.
What is the InChIKey of N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide?
The InChIKey is JKZHGFDXHIKXSG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10(6-8-16)19(2)15(21)14(20)18-13-5-3-4-12-11(13)7-9-17-12/h3-5,7,9-10,17H,6H2,1-2H3,(H,18,20)/t10-/m0/s1.
What are the key properties of N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide?
N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide has a molecular weight of 284.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide is sourced from PubChem (CID 99632176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).