3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one

C22H19N3O4 — CID 43995791

IUPAC3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one
SMILESCC1Cc2ccccc2N1C(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O
InChIInChI=1S/C22H19N3O4/c1-15-12-17-7-2-3-10-20(17)24(15)22(27)19-9-5-11-23(21(19)26)14-16-6-4-8-18(13-16)25(28)29/h2-11,13,15H,12,14H2,1H3
InChIKeyPGEKFCHNUKPPQV-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.40
Rot. Bonds4

About 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one

3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one (PubChem CID 43995791) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one
PubChem CID43995791
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one
SMILESCC1Cc2ccccc2N1C(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O
InChIInChI=1S/C22H19N3O4/c1-15-12-17-7-2-3-10-20(17)24(15)22(27)19-9-5-11-23(21(19)26)14-16-6-4-8-18(13-16)25(28)29/h2-11,13,15H,12,14H2,1H3
InChIKeyPGEKFCHNUKPPQV-UHFFFAOYSA-N
XLogP3.40
TPSA85.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one 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

1-[(2-fluorophenyl)methyl]-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]pyridin-2-one
CID 7599019
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 41066106
N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599231
N-(3-methylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599175
1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598295
N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599190
(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 17320606
N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599212
5-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]-1-[(3-nitrophenyl)methyl]pyridin-2-one
CID 41398198
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone
CID 35414080
1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620216
furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone
CID 56825589

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one?
The IUPAC name of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one (CID 43995791) is 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one is CC1Cc2ccccc2N1C(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O.
What is the InChIKey of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one?
The InChIKey is PGEKFCHNUKPPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-15-12-17-7-2-3-10-20(17)24(15)22(27)19-9-5-11-23(21(19)26)14-16-6-4-8-18(13-16)25(28)29/h2-11,13,15H,12,14H2,1H3.
What are the key properties of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one?
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one has a molecular weight of 389.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 43995791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).