2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide

C20H23N3O2 — CID 95773587

IUPAC2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide
SMILESCC(C)[C@@H](NC(=O)C(=O)N1C[C@@H](C)c2ccccc21)c1ccccn1
InChIInChI=1S/C20H23N3O2/c1-13(2)18(16-9-6-7-11-21-16)22-19(24)20(25)23-12-14(3)15-8-4-5-10-17(15)23/h4-11,13-14,18H,12H2,1-3H3,(H,22,24)/t14-,18-/m1/s1
InChIKeyAKYJCJMEFXUTOC-RDTXWAMCSA-N
MW337.42 g/mol
LogP3.05
Rot. Bonds3

About 2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide

2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide (PubChem CID 95773587) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide
PubChem CID95773587
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide
SMILESCC(C)[C@@H](NC(=O)C(=O)N1C[C@@H](C)c2ccccc21)c1ccccn1
InChIInChI=1S/C20H23N3O2/c1-13(2)18(16-9-6-7-11-21-16)22-19(24)20(25)23-12-14(3)15-8-4-5-10-17(15)23/h4-11,13-14,18H,12H2,1-3H3,(H,22,24)/t14-,18-/m1/s1
InChIKeyAKYJCJMEFXUTOC-RDTXWAMCSA-N
XLogP3.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide 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

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide
CID 95557593
(2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide
CID 129378770
1-(hydroxymethyl)-N-(2-methyl-1-pyridin-2-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75427125
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]oxolane-2-carboxamide
CID 96504930
(3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone
CID 110751082
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 110901510
1-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-3-[(1R)-2-methyl-1-pyridin-2-ylpropyl]urea
CID 96569272
1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 75403700
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97079268
3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide
CID 125442338
3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide
CID 95981391
1-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)imidazo[2,1-e]pyrazole-7-carboxamide
CID 50969158

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide?
The IUPAC name of 2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide (CID 95773587) is 2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide.
What is the SMILES notation for 2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide?
The canonical SMILES for 2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide is CC(C)[C@@H](NC(=O)C(=O)N1C[C@@H](C)c2ccccc21)c1ccccn1.
What is the InChIKey of 2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide?
The InChIKey is AKYJCJMEFXUTOC-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(2)18(16-9-6-7-11-21-16)22-19(24)20(25)23-12-14(3)15-8-4-5-10-17(15)23/h4-11,13-14,18H,12H2,1-3H3,(H,22,24)/t14-,18-/m1/s1.
What are the key properties of 2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide?
2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide has a molecular weight of 337.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide is sourced from PubChem (CID 95773587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).