N-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide

C27H29FN2O6 — CID 90061799

IUPACN-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide
SMILESCCc1cc(-c2nc(C(=O)CNC(=O)c3ccc(OCC(C)O)c(OC)c3)ccc2OC)ccc1F
InChIInChI=1S/C27H29FN2O6/c1-5-17-12-18(6-8-20(17)28)26-24(34-3)11-9-21(30-26)22(32)14-29-27(33)19-7-10-23(25(13-19)35-4)36-15-16(2)31/h6-13,16,31H,5,14-15H2,1-4H3,(H,29,33)
InChIKeyPUVAYFIQFVDYEU-UHFFFAOYSA-N
MW496.54 g/mol
LogP3.84
Rot. Bonds11

About N-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide

N-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide (PubChem CID 90061799) has the molecular formula C27H29FN2O6 and a molecular weight of 496.54 g/mol. Its IUPAC name is N-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide
PubChem CID90061799
Molecular FormulaC27H29FN2O6
Molecular Weight496.54 g/mol
Exact Mass496.20
IUPAC NameN-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide
SMILESCCc1cc(-c2nc(C(=O)CNC(=O)c3ccc(OCC(C)O)c(OC)c3)ccc2OC)ccc1F
InChIInChI=1S/C27H29FN2O6/c1-5-17-12-18(6-8-20(17)28)26-24(34-3)11-9-21(30-26)22(32)14-29-27(33)19-7-10-23(25(13-19)35-4)36-15-16(2)31/h6-13,16,31H,5,14-15H2,1-4H3,(H,29,33)
InChIKeyPUVAYFIQFVDYEU-UHFFFAOYSA-N
XLogP3.84
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide?
The IUPAC name of N-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide (CID 90061799) is N-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide?
The canonical SMILES for N-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide is CCc1cc(-c2nc(C(=O)CNC(=O)c3ccc(OCC(C)O)c(OC)c3)ccc2OC)ccc1F.
What is the InChIKey of N-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide?
The InChIKey is PUVAYFIQFVDYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O6/c1-5-17-12-18(6-8-20(17)28)26-24(34-3)11-9-21(30-26)22(32)14-29-27(33)19-7-10-23(25(13-19)35-4)36-15-16(2)31/h6-13,16,31H,5,14-15H2,1-4H3,(H,29,33).
What are the key properties of N-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide?
N-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide has a molecular weight of 496.54 g/mol, XLogP of 3.84, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide is sourced from PubChem (CID 90061799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).