N-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide

C23H23FN2O4 — CID 91562091

IUPACN-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide
SMILESCOc1ccc(OC)c(CN(C(C)=O)c2ccc(F)nc2Oc2ccc(C)cc2)c1
InChIInChI=1S/C23H23FN2O4/c1-15-5-7-18(8-6-15)30-23-20(10-12-22(24)25-23)26(16(2)27)14-17-13-19(28-3)9-11-21(17)29-4/h5-13H,14H2,1-4H3
InChIKeyPFHBKUJVDGBBDZ-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.89
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide

N-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide (PubChem CID 91562091) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide
PubChem CID91562091
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide
SMILESCOc1ccc(OC)c(CN(C(C)=O)c2ccc(F)nc2Oc2ccc(C)cc2)c1
InChIInChI=1S/C23H23FN2O4/c1-15-5-7-18(8-6-15)30-23-20(10-12-22(24)25-23)26(16(2)27)14-17-13-19(28-3)9-11-21(17)29-4/h5-13H,14H2,1-4H3
InChIKeyPFHBKUJVDGBBDZ-UHFFFAOYSA-N
XLogP4.89
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-N-[6-(18F)fluoro-2-(4-iodophenoxy)-3-pyridinyl]acetamide
CID 58390523
N-[6-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 58390459
N-[6-bromo-2-(4-chlorophenoxy)-3-pyridinyl]-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 58390501
N-[(2,5-dimethoxyphenyl)methyl]-N-(2,6-dimethyl-3-pyridinyl)acetamide
CID 143936412
N-[6-bromo-2-(4-chlorophenoxy)-3-pyridinyl]-N-[(2-methoxyphenyl)methyl]acetamide;N-[6-bromo-2-(4-fluorophenoxy)-3-pyridinyl]-N-[(2,5-dimethoxyphenyl)methyl]acetamide;N-[6-bromo-2-(4-iodophenoxy)-3-pyridinyl]-N-[(2,5-dimethoxyphenyl)methyl]acetamide;N-(6-bromo-2-phenoxy-3-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 160699740
N-(5-amino-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 71470709
N-[(2,5-dimethoxyphenyl)methyl]-N-[2-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 139823912
N-[[2-(fluoromethyl)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
CID 22556111
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-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide
CID 54267361
N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
CID 59765851
[2-[[acetyl-[2-(2-fluorophenoxy)-3-pyridinyl]amino]methyl]-4-methoxyphenyl] propane-1-sulfonate
CID 174724479

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide (CID 91562091) is N-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide is COc1ccc(OC)c(CN(C(C)=O)c2ccc(F)nc2Oc2ccc(C)cc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide?
The InChIKey is PFHBKUJVDGBBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-15-5-7-18(8-6-15)30-23-20(10-12-22(24)25-23)26(16(2)27)14-17-13-19(28-3)9-11-21(17)29-4/h5-13H,14H2,1-4H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide?
N-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide has a molecular weight of 410.45 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 91562091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).