N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide

C16H16F2N2O4 — CID 119037362

IUPACN-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide
SMILESCCC(NC(=O)c1cccc(=O)n1O)c1ccccc1OC(F)F
InChIInChI=1S/C16H16F2N2O4/c1-2-11(10-6-3-4-8-13(10)24-16(17)18)19-15(22)12-7-5-9-14(21)20(12)23/h3-9,11,16,23H,2H2,1H3,(H,19,22)
InChIKeyCAKAVJZTOPOYFX-UHFFFAOYSA-N
MW338.31 g/mol
LogP2.57
Rot. Bonds6

About N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide

N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide (PubChem CID 119037362) has the molecular formula C16H16F2N2O4 and a molecular weight of 338.31 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide
PubChem CID119037362
Molecular FormulaC16H16F2N2O4
Molecular Weight338.31 g/mol
Exact Mass338.11
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide
SMILESCCC(NC(=O)c1cccc(=O)n1O)c1ccccc1OC(F)F
InChIInChI=1S/C16H16F2N2O4/c1-2-11(10-6-3-4-8-13(10)24-16(17)18)19-15(22)12-7-5-9-14(21)20(12)23/h3-9,11,16,23H,2H2,1H3,(H,19,22)
InChIKeyCAKAVJZTOPOYFX-UHFFFAOYSA-N
XLogP2.57
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38979661
3-acetamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]benzamide
CID 42959688
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 55672960
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60511438
4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide
CID 56545716
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560678
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide
CID 55656191
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(3,6-dioxodiazinan-1-yl)benzamide
CID 47783140
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-phenoxyacetamide
CID 34703779
N-[1-[2-(difluoromethoxy)phenyl]propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78868230
N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34696990
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55849910

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide (CID 119037362) is N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide is CCC(NC(=O)c1cccc(=O)n1O)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide?
The InChIKey is CAKAVJZTOPOYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4/c1-2-11(10-6-3-4-8-13(10)24-16(17)18)19-15(22)12-7-5-9-14(21)20(12)23/h3-9,11,16,23H,2H2,1H3,(H,19,22).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide?
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide has a molecular weight of 338.31 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 119037362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).