N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide

C17H15FN2O2 — CID 144743698

IUPACN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide
SMILESO=CCN(C(=O)c1cccnc1)C1CCc2c(F)cccc21
InChIInChI=1S/C17H15FN2O2/c18-15-5-1-4-14-13(15)6-7-16(14)20(9-10-21)17(22)12-3-2-8-19-11-12/h1-5,8,10-11,16H,6-7,9H2
InChIKeyJZOKBJKSFSBLDX-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.55
Rot. Bonds4

About N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide

N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide (PubChem CID 144743698) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide
PubChem CID144743698
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide
SMILESO=CCN(C(=O)c1cccnc1)C1CCc2c(F)cccc21
InChIInChI=1S/C17H15FN2O2/c18-15-5-1-4-14-13(15)6-7-16(14)20(9-10-21)17(22)12-3-2-8-19-11-12/h1-5,8,10-11,16H,6-7,9H2
InChIKeyJZOKBJKSFSBLDX-UHFFFAOYSA-N
XLogP2.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 118935485
benzene;methanamine;N-(2-oxoethyl)-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 144743643
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide
CID 99795295
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 94198155
N-(3-aminopropyl)-N-cyclopentylpyridine-3-carboxamide
CID 43136838
N-(3-aminopropyl)-N-cyclohexylpyridine-3-carboxamide
CID 43319410
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 87054960
N-(2-amino-2-oxo-1-phenylethyl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 144743646
N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 118935454
3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid
CID 83069274
N-ethyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 63299166
N-(2-chloroethylamino)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)formamide
CID 87431204

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide (CID 144743698) is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide is O=CCN(C(=O)c1cccnc1)C1CCc2c(F)cccc21.
What is the InChIKey of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide?
The InChIKey is JZOKBJKSFSBLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-15-5-1-4-14-13(15)6-7-16(14)20(9-10-21)17(22)12-3-2-8-19-11-12/h1-5,8,10-11,16H,6-7,9H2.
What are the key properties of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide?
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide is sourced from PubChem (CID 144743698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).