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

C25H25FN2O7 — CID 90061547

IUPACN-[2-[6-(4-fluoro-3-methoxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCOc1cc(-c2nc(C(=O)CNC(=O)c3ccc(OCCO)c(OC)c3)ccc2OC)ccc1F
InChIInChI=1S/C25H25FN2O7/c1-32-21-9-7-18(28-24(21)15-4-6-17(26)22(12-15)33-2)19(30)14-27-25(31)16-5-8-20(35-11-10-29)23(13-16)34-3/h4-9,12-13,29H,10-11,14H2,1-3H3,(H,27,31)
InChIKeyVYYPMEDZYATQLC-UHFFFAOYSA-N
MW484.48 g/mol
LogP2.90
Rot. Bonds11

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

N-[2-[6-(4-fluoro-3-methoxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (PubChem CID 90061547) has the molecular formula C25H25FN2O7 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-[2-[6-(4-fluoro-3-methoxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(4-fluoro-3-methoxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
PubChem CID90061547
Molecular FormulaC25H25FN2O7
Molecular Weight484.48 g/mol
Exact Mass484.16
IUPAC NameN-[2-[6-(4-fluoro-3-methoxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCOc1cc(-c2nc(C(=O)CNC(=O)c3ccc(OCCO)c(OC)c3)ccc2OC)ccc1F
InChIInChI=1S/C25H25FN2O7/c1-32-21-9-7-18(28-24(21)15-4-6-17(26)22(12-15)33-2)19(30)14-27-25(31)16-5-8-20(35-11-10-29)23(13-16)34-3/h4-9,12-13,29H,10-11,14H2,1-3H3,(H,27,31)
InChIKeyVYYPMEDZYATQLC-UHFFFAOYSA-N
XLogP2.90
TPSA116.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-fluoro-3-methoxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The IUPAC name of N-[2-[6-(4-fluoro-3-methoxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (CID 90061547) is N-[2-[6-(4-fluoro-3-methoxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[2-[6-(4-fluoro-3-methoxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[2-[6-(4-fluoro-3-methoxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is COc1cc(-c2nc(C(=O)CNC(=O)c3ccc(OCCO)c(OC)c3)ccc2OC)ccc1F.
What is the InChIKey of N-[2-[6-(4-fluoro-3-methoxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The InChIKey is VYYPMEDZYATQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O7/c1-32-21-9-7-18(28-24(21)15-4-6-17(26)22(12-15)33-2)19(30)14-27-25(31)16-5-8-20(35-11-10-29)23(13-16)34-3/h4-9,12-13,29H,10-11,14H2,1-3H3,(H,27,31).
What are the key properties of N-[2-[6-(4-fluoro-3-methoxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
N-[2-[6-(4-fluoro-3-methoxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide has a molecular weight of 484.48 g/mol, XLogP of 2.90, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-fluoro-3-methoxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is sourced from PubChem (CID 90061547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).