N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide

C25H23ClFN3O6 — CID 90061653

IUPACN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide
SMILESCNC(=O)COc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)cc1OC
InChIInChI=1S/C25H23ClFN3O6/c1-28-23(32)13-36-20-8-5-15(11-22(20)35-3)25(33)29-12-19(31)18-7-9-21(34-2)24(30-18)14-4-6-17(27)16(26)10-14/h4-11H,12-13H2,1-3H3,(H,28,32)(H,29,33)
InChIKeyAWMGTMAPBOTDQJ-UHFFFAOYSA-N
MW515.93 g/mol
LogP3.30
Rot. Bonds10

About N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide

N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide (PubChem CID 90061653) has the molecular formula C25H23ClFN3O6 and a molecular weight of 515.93 g/mol. Its IUPAC name is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide
PubChem CID90061653
Molecular FormulaC25H23ClFN3O6
Molecular Weight515.93 g/mol
Exact Mass515.13
IUPAC NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide
SMILESCNC(=O)COc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)cc1OC
InChIInChI=1S/C25H23ClFN3O6/c1-28-23(32)13-36-20-8-5-15(11-22(20)35-3)25(33)29-12-19(31)18-7-9-21(34-2)24(30-18)14-4-6-17(27)16(26)10-14/h4-11H,12-13H2,1-3H3,(H,28,32)(H,29,33)
InChIKeyAWMGTMAPBOTDQJ-UHFFFAOYSA-N
XLogP3.30
TPSA115.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.93
LogP ≤ 53.30
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-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide (CID 90061653) is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide is CNC(=O)COc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)cc1OC.
What is the InChIKey of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide?
The InChIKey is AWMGTMAPBOTDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O6/c1-28-23(32)13-36-20-8-5-15(11-22(20)35-3)25(33)29-12-19(31)18-7-9-21(34-2)24(30-18)14-4-6-17(27)16(26)10-14/h4-11H,12-13H2,1-3H3,(H,28,32)(H,29,33).
What are the key properties of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide?
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide has a molecular weight of 515.93 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 90061653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).