2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C15H14FN3O2 — CID 56825968

IUPAC2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(/C=C/c2ccc(F)c(C)c2)[nH]c1=O
InChIInChI=1S/C15H14FN3O2/c1-9-7-10(3-5-12(9)16)4-6-13-18-8-11(14(20)17-2)15(21)19-13/h3-8H,1-2H3,(H,17,20)(H,18,19,21)/b6-4+
InChIKeyMAGUBGYEAJMWRF-GQCTYLIASA-N
MW287.29 g/mol
LogP1.75
Rot. Bonds3

About 2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide

2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 56825968) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID56825968
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(/C=C/c2ccc(F)c(C)c2)[nH]c1=O
InChIInChI=1S/C15H14FN3O2/c1-9-7-10(3-5-12(9)16)4-6-13-18-8-11(14(20)17-2)15(21)19-13/h3-8H,1-2H3,(H,17,20)(H,18,19,21)/b6-4+
InChIKeyMAGUBGYEAJMWRF-GQCTYLIASA-N
XLogP1.75
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 56825968) is 2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide is CNC(=O)c1cnc(/C=C/c2ccc(F)c(C)c2)[nH]c1=O.
What is the InChIKey of 2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is MAGUBGYEAJMWRF-GQCTYLIASA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9-7-10(3-5-12(9)16)4-6-13-18-8-11(14(20)17-2)15(21)19-13/h3-8H,1-2H3,(H,17,20)(H,18,19,21)/b6-4+.
What are the key properties of 2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56825968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).