N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide

C16H15FN2O — CID 107358584

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1F)C1CCc2ccccc21
InChIInChI=1S/C16H15FN2O/c1-19(16(20)13-7-4-10-18-15(13)17)14-9-8-11-5-2-3-6-12(11)14/h2-7,10,14H,8-9H2,1H3
InChIKeyTUKSTUVJNVSRMA-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.98
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide (PubChem CID 107358584) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide
PubChem CID107358584
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1F)C1CCc2ccccc21
InChIInChI=1S/C16H15FN2O/c1-19(16(20)13-7-4-10-18-15(13)17)14-9-8-11-5-2-3-6-12(11)14/h2-7,10,14H,8-9H2,1H3
InChIKeyTUKSTUVJNVSRMA-UHFFFAOYSA-N
XLogP2.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide 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 N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide (CID 107358584) is N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide is CN(C(=O)c1cccnc1F)C1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide?
The InChIKey is TUKSTUVJNVSRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-19(16(20)13-7-4-10-18-15(13)17)14-9-8-11-5-2-3-6-12(11)14/h2-7,10,14H,8-9H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 107358584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).