N-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide

C22H23FN2O4 — CID 91408389

IUPACN-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide
SMILESCCOc1ccc(OC)cc1CN(C(C)=O)c1cccnc1OC1=CCC=C1F
InChIInChI=1S/C22H23FN2O4/c1-4-28-20-11-10-17(27-3)13-16(20)14-25(15(2)26)19-8-6-12-24-22(19)29-21-9-5-7-18(21)23/h6-13H,4-5,14H2,1-3H3
InChIKeyZMQAGUKWSXZPEA-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.56
Rot. Bonds8

About N-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide

N-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide (PubChem CID 91408389) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide
PubChem CID91408389
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC NameN-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide
SMILESCCOc1ccc(OC)cc1CN(C(C)=O)c1cccnc1OC1=CCC=C1F
InChIInChI=1S/C22H23FN2O4/c1-4-28-20-11-10-17(27-3)13-16(20)14-25(15(2)26)19-8-6-12-24-22(19)29-21-9-5-7-18(21)23/h6-13H,4-5,14H2,1-3H3
InChIKeyZMQAGUKWSXZPEA-UHFFFAOYSA-N
XLogP4.56
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-N-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]acetamide
CID 44622012
N-[2-(2-fluorophenoxy)-3-pyridinyl]-N-[[2-(furan-2-ylmethoxy)-5-methoxyphenyl]methyl]acetamide
CID 91567062
[2-[[acetyl-[2-(2-fluorophenoxy)-3-pyridinyl]amino]methyl]-4-methoxyphenyl] propane-1-sulfonate
CID 174724479
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-[2-(4-fluorophenoxy)-3-pyridinyl]acetamide;N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-[2-(4-iodophenoxy)-3-pyridinyl]acetamide;N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide
CID 159302896
N-[2-(4-chloro-2-fluorophenoxy)-3-pyridinyl]-N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]acetamide;N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-[2-(2-fluorophenoxy)-3-pyridinyl]acetamide;N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-[2-(4-iodophenoxy)-3-pyridinyl]acetamide;N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide
CID 160894769
N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide
CID 70919061
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide
CID 70919054
N-[2-[(4-chlorophenyl)methyl]-3-pyridinyl]-N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]acetamide
CID 89100637
N-[(2,5-dimethoxyphenyl)methyl]-N-[2-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 139823912
2-[2-[[acetyl-[2-[(2,3-dimethylphenyl)methyl]-3-pyridinyl]amino]methyl]-4-methoxyphenoxy]ethyl methanesulfonate
CID 89100639
N-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide
CID 91562091
N-[(2,5-dimethoxyphenyl)methyl]-N-[6-(18F)fluoro-2-(4-iodophenoxy)-3-pyridinyl]acetamide
CID 58390523

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide?
The IUPAC name of N-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide (CID 91408389) is N-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide.
What is the SMILES notation for N-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide?
The canonical SMILES for N-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide is CCOc1ccc(OC)cc1CN(C(C)=O)c1cccnc1OC1=CCC=C1F.
What is the InChIKey of N-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide?
The InChIKey is ZMQAGUKWSXZPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-4-28-20-11-10-17(27-3)13-16(20)14-25(15(2)26)19-8-6-12-24-22(19)29-21-9-5-7-18(21)23/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide?
N-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide has a molecular weight of 398.43 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide is sourced from PubChem (CID 91408389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).