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

C19H16FN3O2 — CID 58318691

IUPAC2-(4,5-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
SMILESCc1cnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)cc1C
InChIInChI=1S/C19H16FN3O2/c1-12-3-16(23-8-13(12)2)7-19(24)14-4-15(20)6-17(5-14)25-18-9-21-11-22-10-18/h3-6,8-11H,7H2,1-2H3
InChIKeyJWZHPFBFERYWAN-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.85
Rot. Bonds5

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

2-(4,5-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone (PubChem CID 58318691) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-(4,5-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4,5-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
PubChem CID58318691
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name2-(4,5-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
SMILESCc1cnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)cc1C
InChIInChI=1S/C19H16FN3O2/c1-12-3-16(23-8-13(12)2)7-19(24)14-4-15(20)6-17(5-14)25-18-9-21-11-22-10-18/h3-6,8-11H,7H2,1-2H3
InChIKeyJWZHPFBFERYWAN-UHFFFAOYSA-N
XLogP3.85
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.85
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-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
3-fluoro-5-pyrimidin-5-yloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 69936803
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
3-chloro-N-(5-fluoro-6-methyl-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936909
N-(5-fluoro-2-pyridinyl)-3-methyl-5-pyrimidin-5-yloxybenzamide
CID 69936926
3-fluoro-N-(4-methyl-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69937111
3-cyano-N-(5-fluoropyridin-2-yl)-5-(pyrimidin-5-yloxy)benzamide
CID 69937644

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The IUPAC name of 2-(4,5-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone (CID 58318691) is 2-(4,5-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(4,5-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The canonical SMILES for 2-(4,5-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone is Cc1cnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)cc1C.
What is the InChIKey of 2-(4,5-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The InChIKey is JWZHPFBFERYWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-12-3-16(23-8-13(12)2)7-19(24)14-4-15(20)6-17(5-14)25-18-9-21-11-22-10-18/h3-6,8-11H,7H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
2-(4,5-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone has a molecular weight of 337.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone is sourced from PubChem (CID 58318691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).