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'}

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Related Compounds

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39977135
N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42946251
N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide
CID 42941214
N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 134791703
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-oxazole-4-carboxamide
CID 138997641
2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 107362833
N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyridine-2-carboxamide
CID 42944559
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide
CID 99790409
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 35205344
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
N-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78864821
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496

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).