2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide

C18H14ClFN4O3 — CID 59509027

IUPAC2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)COc2ccc(Cl)cn2)ncn1
InChIInChI=1S/C18H14ClFN4O3/c1-26-15-4-3-12(20)6-13(15)14-7-16(23-10-22-14)24-17(25)9-27-18-5-2-11(19)8-21-18/h2-8,10H,9H2,1H3,(H,22,23,24,25)
InChIKeyUKJSYOSGVXOBCN-UHFFFAOYSA-N
MW388.79 g/mol
LogP3.36
Rot. Bonds6

About 2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide

2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide (PubChem CID 59509027) has the molecular formula C18H14ClFN4O3 and a molecular weight of 388.79 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide
PubChem CID59509027
Molecular FormulaC18H14ClFN4O3
Molecular Weight388.79 g/mol
Exact Mass388.07
IUPAC Name2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)COc2ccc(Cl)cn2)ncn1
InChIInChI=1S/C18H14ClFN4O3/c1-26-15-4-3-12(20)6-13(15)14-7-16(23-10-22-14)24-17(25)9-27-18-5-2-11(19)8-21-18/h2-8,10H,9H2,1H3,(H,22,23,24,25)
InChIKeyUKJSYOSGVXOBCN-UHFFFAOYSA-N
XLogP3.36
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.79
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide (CID 59509027) is 2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide is COc1ccc(F)cc1-c1cc(NC(=O)COc2ccc(Cl)cn2)ncn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide?
The InChIKey is UKJSYOSGVXOBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O3/c1-26-15-4-3-12(20)6-13(15)14-7-16(23-10-22-14)24-17(25)9-27-18-5-2-11(19)8-21-18/h2-8,10H,9H2,1H3,(H,22,23,24,25).
What are the key properties of 2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide?
2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide has a molecular weight of 388.79 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 59509027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).