3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide

C19H14N4O2 — CID 138582532

IUPAC3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide
SMILESN#Cc1ccc(NC(=O)CC(=O)N2CCc3cc(C#N)ccc32)cc1
InChIInChI=1S/C19H14N4O2/c20-11-13-1-4-16(5-2-13)22-18(24)10-19(25)23-8-7-15-9-14(12-21)3-6-17(15)23/h1-6,9H,7-8,10H2,(H,22,24)
InChIKeySUXISOIYDGTQNZ-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.35
Rot. Bonds3

About 3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide

3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide (PubChem CID 138582532) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide
PubChem CID138582532
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide
SMILESN#Cc1ccc(NC(=O)CC(=O)N2CCc3cc(C#N)ccc32)cc1
InChIInChI=1S/C19H14N4O2/c20-11-13-1-4-16(5-2-13)22-18(24)10-19(25)23-8-7-15-9-14(12-21)3-6-17(15)23/h1-6,9H,7-8,10H2,(H,22,24)
InChIKeySUXISOIYDGTQNZ-UHFFFAOYSA-N
XLogP2.35
TPSA96.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide 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,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092
N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953344
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide
CID 138582542
N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949553
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
CID 108953370
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(4-cyanophenyl)-6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109100339
N'-(3-chloro-4-methylphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955295
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide?
The IUPAC name of 3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide (CID 138582532) is 3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide.
What is the SMILES notation for 3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide?
The canonical SMILES for 3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide is N#Cc1ccc(NC(=O)CC(=O)N2CCc3cc(C#N)ccc32)cc1.
What is the InChIKey of 3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide?
The InChIKey is SUXISOIYDGTQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c20-11-13-1-4-16(5-2-13)22-18(24)10-19(25)23-8-7-15-9-14(12-21)3-6-17(15)23/h1-6,9H,7-8,10H2,(H,22,24).
What are the key properties of 3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide?
3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide has a molecular weight of 330.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide is sourced from PubChem (CID 138582532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).