2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide

C13H13N3O — CID 115174941

IUPAC2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C13H13N3O/c1-13(2,8-14)12(17)16-11-7-15-10-6-4-3-5-9(10)11/h3-7,15H,1-2H3,(H,16,17)
InChIKeyBVEUPABQLQIZJP-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.66
Rot. Bonds2

About 2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide

2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide (PubChem CID 115174941) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide
PubChem CID115174941
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C13H13N3O/c1-13(2,8-14)12(17)16-11-7-15-10-6-4-3-5-9(10)11/h3-7,15H,1-2H3,(H,16,17)
InChIKeyBVEUPABQLQIZJP-UHFFFAOYSA-N
XLogP2.66
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide 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-(1H-indol-3-yl)-2-methyl-2-(methylamino)propanamide
CID 115165574
3-(1H-indol-3-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163934
1H-indol-3-ylcarbamic acid
CID 66672709
N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide
CID 115898158
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
N-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 4618284
N-methyl-1H-indol-3-amine;oxalic acid
CID 69068496
methyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate
CID 10988925
N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113208983
2-chloro-N-(1H-indol-3-yl)benzamide
CID 56763159
1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
CID 7615942

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide (CID 115174941) is 2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide is CC(C)(C#N)C(=O)Nc1c[nH]c2ccccc12.
What is the InChIKey of 2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide?
The InChIKey is BVEUPABQLQIZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-13(2,8-14)12(17)16-11-7-15-10-6-4-3-5-9(10)11/h3-7,15H,1-2H3,(H,16,17).
What are the key properties of 2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide?
2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide has a molecular weight of 227.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 115174941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).