3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid

C24H23FN2O5 — CID 90095528

IUPAC3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
SMILESCCOc1ccccc1-c1nc(C(=O)NC(CC(=O)O)c2ccccc2F)ccc1OC
InChIInChI=1S/C24H23FN2O5/c1-3-32-20-11-7-5-9-16(20)23-21(31-2)13-12-18(26-23)24(30)27-19(14-22(28)29)15-8-4-6-10-17(15)25/h4-13,19H,3,14H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyXSOLQBZBDWQKJM-UHFFFAOYSA-N
MW438.46 g/mol
LogP4.24
Rot. Bonds9

About 3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid

3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid (PubChem CID 90095528) has the molecular formula C24H23FN2O5 and a molecular weight of 438.46 g/mol. Its IUPAC name is 3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
PubChem CID90095528
Molecular FormulaC24H23FN2O5
Molecular Weight438.46 g/mol
Exact Mass438.16
IUPAC Name3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
SMILESCCOc1ccccc1-c1nc(C(=O)NC(CC(=O)O)c2ccccc2F)ccc1OC
InChIInChI=1S/C24H23FN2O5/c1-3-32-20-11-7-5-9-16(20)23-21(31-2)13-12-18(26-23)24(30)27-19(14-22(28)29)15-8-4-6-10-17(15)25/h4-13,19H,3,14H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyXSOLQBZBDWQKJM-UHFFFAOYSA-N
XLogP4.24
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(2-ethylfuran-3-yl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 90095496
3-[[6-(5-tert-butyl-2-methoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 122472234
(3S)-3-[[6-(5-fluoro-2-methyl-4-pyridinyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 102594258
3-[[6-[2-(dimethylcarbamoyl)phenyl]-5-methoxypyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 122472245
3-(2-chlorophenyl)-3-[[6-(4-cyano-2-fluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid
CID 122472396
(3S)-3-[[6-(2-chloro-5-methyl-3-pyridinyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 102594257
3-[(6-chloro-5-methoxypyridine-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 72661502
(3S)-3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 71239743
ethyl 3-[(6-bromo-5-methoxypyridine-2-carbonyl)amino]-3-(2-methylphenyl)propanoate
CID 88924989
3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid
CID 154795855
3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid
CID 174775948
3-[[6-(4-tert-butylphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(4-methylphenyl)propanoic acid
CID 122472272

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of 3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid (CID 90095528) is 3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid is CCOc1ccccc1-c1nc(C(=O)NC(CC(=O)O)c2ccccc2F)ccc1OC.
What is the InChIKey of 3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid?
The InChIKey is XSOLQBZBDWQKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O5/c1-3-32-20-11-7-5-9-16(20)23-21(31-2)13-12-18(26-23)24(30)27-19(14-22(28)29)15-8-4-6-10-17(15)25/h4-13,19H,3,14H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid?
3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid has a molecular weight of 438.46 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 90095528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).