N-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

C24H23FN2O7 — CID 90061849

IUPACN-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(O)c3)n2)ccc1OCCO
InChIInChI=1S/C24H23FN2O7/c1-32-21-8-6-17(27-23(21)14-3-5-16(25)18(29)11-14)19(30)13-26-24(31)15-4-7-20(34-10-9-28)22(12-15)33-2/h3-8,11-12,28-29H,9-10,13H2,1-2H3,(H,26,31)
InChIKeyHAUNKXLTTSCRFX-UHFFFAOYSA-N
MW470.45 g/mol
LogP2.59
Rot. Bonds10

About N-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

N-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (PubChem CID 90061849) has the molecular formula C24H23FN2O7 and a molecular weight of 470.45 g/mol. Its IUPAC name is N-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
PubChem CID90061849
Molecular FormulaC24H23FN2O7
Molecular Weight470.45 g/mol
Exact Mass470.15
IUPAC NameN-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(O)c3)n2)ccc1OCCO
InChIInChI=1S/C24H23FN2O7/c1-32-21-8-6-17(27-23(21)14-3-5-16(25)18(29)11-14)19(30)13-26-24(31)15-4-7-20(34-10-9-28)22(12-15)33-2/h3-8,11-12,28-29H,9-10,13H2,1-2H3,(H,26,31)
InChIKeyHAUNKXLTTSCRFX-UHFFFAOYSA-N
XLogP2.59
TPSA127.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The IUPAC name of N-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (CID 90061849) is N-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(O)c3)n2)ccc1OCCO.
What is the InChIKey of N-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The InChIKey is HAUNKXLTTSCRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O7/c1-32-21-8-6-17(27-23(21)14-3-5-16(25)18(29)11-14)19(30)13-26-24(31)15-4-7-20(34-10-9-28)22(12-15)33-2/h3-8,11-12,28-29H,9-10,13H2,1-2H3,(H,26,31).
What are the key properties of N-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
N-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide has a molecular weight of 470.45 g/mol, XLogP of 2.59, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is sourced from PubChem (CID 90061849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).