1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone

C19H16FN3O — CID 167536601

IUPAC1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone
SMILESCc1nccc(CC(=O)c2ccc(Cc3cccc(F)c3)cn2)n1
InChIInChI=1S/C19H16FN3O/c1-13-21-8-7-17(23-13)11-19(24)18-6-5-15(12-22-18)9-14-3-2-4-16(20)10-14/h2-8,10,12H,9,11H2,1H3
InChIKeyAQEXAPWBDBFGMT-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.34
Rot. Bonds5

About 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone

1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone (PubChem CID 167536601) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone
PubChem CID167536601
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone
SMILESCc1nccc(CC(=O)c2ccc(Cc3cccc(F)c3)cn2)n1
InChIInChI=1S/C19H16FN3O/c1-13-21-8-7-17(23-13)11-19(24)18-6-5-15(12-22-18)9-14-3-2-4-16(20)10-14/h2-8,10,12H,9,11H2,1H3
InChIKeyAQEXAPWBDBFGMT-UHFFFAOYSA-N
XLogP3.34
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone?
The IUPAC name of 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone (CID 167536601) is 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone.
What is the SMILES notation for 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone?
The canonical SMILES for 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone is Cc1nccc(CC(=O)c2ccc(Cc3cccc(F)c3)cn2)n1.
What is the InChIKey of 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone?
The InChIKey is AQEXAPWBDBFGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-13-21-8-7-17(23-13)11-19(24)18-6-5-15(12-22-18)9-14-3-2-4-16(20)10-14/h2-8,10,12H,9,11H2,1H3.
What are the key properties of 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone?
1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone has a molecular weight of 321.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone is sourced from PubChem (CID 167536601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).