2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone

C19H16FN3O2 — CID 58318725

IUPAC2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
SMILESCCc1ccnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C19H16FN3O2/c1-2-13-3-4-23-16(5-13)9-19(24)14-6-15(20)8-17(7-14)25-18-10-21-12-22-11-18/h3-8,10-12H,2,9H2,1H3
InChIKeyKZFVKHPFXWXYEL-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.79
Rot. Bonds6

About 2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone

2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone (PubChem CID 58318725) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
PubChem CID58318725
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
SMILESCCc1ccnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C19H16FN3O2/c1-2-13-3-4-23-16(5-13)9-19(24)14-6-15(20)8-17(7-14)25-18-10-21-12-22-11-18/h3-8,10-12H,2,9H2,1H3
InChIKeyKZFVKHPFXWXYEL-UHFFFAOYSA-N
XLogP3.79
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide
CID 51033560
3-chloro-N-[6-(fluoromethyl)-2-pyridinyl]-5-pyrimidin-5-yloxybenzamide
CID 69936691
3-fluoro-N-(5-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936731
3-fluoro-N-(6-methoxy-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936736
N-pyridin-2-yl-3-pyridin-3-yloxybenzamide
CID 69936778
3-chloro-N-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-5-pyrimidin-5-yloxybenzamide
CID 69936790
3-fluoro-5-pyrimidin-5-yloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 69936803
3-chloro-N-[6-(difluoromethyl)-5-fluoropyridin-2-yl]-5-pyrimidin-5-yloxybenzamide
CID 69936808
3-fluoro-N-(6-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936858
N-[6-(difluoromethyl)pyridin-2-yl]-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 69936867
3-fluoro-N-pyridin-2-yl-5-pyrimidin-5-yloxybenzamide
CID 69936868
N-(4-chloro-2-pyridinyl)-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 69936872

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The IUPAC name of 2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone (CID 58318725) is 2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The canonical SMILES for 2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone is CCc1ccnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1.
What is the InChIKey of 2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The InChIKey is KZFVKHPFXWXYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-2-13-3-4-23-16(5-13)9-19(24)14-6-15(20)8-17(7-14)25-18-10-21-12-22-11-18/h3-8,10-12H,2,9H2,1H3.
What are the key properties of 2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone has a molecular weight of 337.35 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone is sourced from PubChem (CID 58318725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).