N-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide

C17H14FN3O4 — CID 45102696

IUPACN-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide
SMILESCC1OC(n2ccc(NC(=O)c3ccccc3)nc2=O)C=C(F)C1=O
InChIInChI=1S/C17H14FN3O4/c1-10-15(22)12(18)9-14(25-10)21-8-7-13(20-17(21)24)19-16(23)11-5-3-2-4-6-11/h2-10,14H,1H3,(H,19,20,23,24)
InChIKeyHNJXFNLVLBSSLN-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.84
Rot. Bonds3

About N-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide

N-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide (PubChem CID 45102696) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide
PubChem CID45102696
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC NameN-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide
SMILESCC1OC(n2ccc(NC(=O)c3ccccc3)nc2=O)C=C(F)C1=O
InChIInChI=1S/C17H14FN3O4/c1-10-15(22)12(18)9-14(25-10)21-8-7-13(20-17(21)24)19-16(23)11-5-3-2-4-6-11/h2-10,14H,1H3,(H,19,20,23,24)
InChIKeyHNJXFNLVLBSSLN-UHFFFAOYSA-N
XLogP1.84
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 66804490
[(2R,3R,4R,5R)-2-(4-benzamido-2-oxopyrimidin-1-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate
CID 66804337
N-[1-[(2S,3R,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 10853795
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 13161410
N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide
CID 131851594
N-[1-[6-(deuteriomethyl)-4-fluoro-5-methyloxan-3-yl]-2-oxopyrimidin-4-yl]benzamide
CID 58060772
N-[1-[5-(bromomethyl)-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 71336668
N-[2-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxy(113C)methyl)(2,3,4,5,6-13C5)oxan-2-yl](613C,1,3-15N2)pyrimidin-4-yl](15N)benzamide
CID 10271516
N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 165030937
N-[1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 124585544
N-[1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxythiolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 59628378
N-[1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 678698

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide?
The IUPAC name of N-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide (CID 45102696) is N-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for N-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide is CC1OC(n2ccc(NC(=O)c3ccccc3)nc2=O)C=C(F)C1=O.
What is the InChIKey of N-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide?
The InChIKey is HNJXFNLVLBSSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4/c1-10-15(22)12(18)9-14(25-10)21-8-7-13(20-17(21)24)19-16(23)11-5-3-2-4-6-11/h2-10,14H,1H3,(H,19,20,23,24).
What are the key properties of N-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide?
N-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 343.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-6-methyl-5-oxo-2H-pyran-2-yl)-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 45102696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).