2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide

C23H18FN3O3 — CID 10046740

IUPAC2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide
SMILESCN(C(=O)C(=O)c1cn(Cc2ccccc2F)c2c(O)cccc12)c1ccncc1
InChIInChI=1S/C23H18FN3O3/c1-26(16-9-11-25-12-10-16)23(30)22(29)18-14-27(13-15-5-2-3-7-19(15)24)21-17(18)6-4-8-20(21)28/h2-12,14,28H,13H2,1H3
InChIKeyNDSDRWPJNSJAOM-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.78
Rot. Bonds5

About 2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide

2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide (PubChem CID 10046740) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide
PubChem CID10046740
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide
SMILESCN(C(=O)C(=O)c1cn(Cc2ccccc2F)c2c(O)cccc12)c1ccncc1
InChIInChI=1S/C23H18FN3O3/c1-26(16-9-11-25-12-10-16)23(30)22(29)18-14-27(13-15-5-2-3-7-19(15)24)21-17(18)6-4-8-20(21)28/h2-12,14,28H,13H2,1H3
InChIKeyNDSDRWPJNSJAOM-UHFFFAOYSA-N
XLogP3.78
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide (CID 10046740) is 2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide is CN(C(=O)C(=O)c1cn(Cc2ccccc2F)c2c(O)cccc12)c1ccncc1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide?
The InChIKey is NDSDRWPJNSJAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-26(16-9-11-25-12-10-16)23(30)22(29)18-14-27(13-15-5-2-3-7-19(15)24)21-17(18)6-4-8-20(21)28/h2-12,14,28H,13H2,1H3.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide?
2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide has a molecular weight of 403.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-N-methyl-2-oxo-N-pyridin-4-ylacetamide is sourced from PubChem (CID 10046740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).