1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one

C23H19Cl2F2N3O2 — CID 173149541

IUPAC1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one
SMILESO=c1ccc(C(=NOC2CCCNC2)c2ccc(F)cc2F)cn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C23H19Cl2F2N3O2/c24-18-4-1-5-19(25)23(18)30-13-14(6-9-21(30)31)22(17-8-7-15(26)11-20(17)27)29-32-16-3-2-10-28-12-16/h1,4-9,11,13,16,28H,2-3,10,12H2
InChIKeyHQWFZIYOPQWPPL-UHFFFAOYSA-N
MW478.33 g/mol
LogP4.94
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one

1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one (PubChem CID 173149541) has the molecular formula C23H19Cl2F2N3O2 and a molecular weight of 478.33 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one
PubChem CID173149541
Molecular FormulaC23H19Cl2F2N3O2
Molecular Weight478.33 g/mol
Exact Mass477.08
IUPAC Name1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one
SMILESO=c1ccc(C(=NOC2CCCNC2)c2ccc(F)cc2F)cn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C23H19Cl2F2N3O2/c24-18-4-1-5-19(25)23(18)30-13-14(6-9-21(30)31)22(17-8-7-15(26)11-20(17)27)29-32-16-3-2-10-28-12-16/h1,4-9,11,13,16,28H,2-3,10,12H2
InChIKeyHQWFZIYOPQWPPL-UHFFFAOYSA-N
XLogP4.94
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.33
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one (CID 173149541) is 1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one is O=c1ccc(C(=NOC2CCCNC2)c2ccc(F)cc2F)cn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one?
The InChIKey is HQWFZIYOPQWPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F2N3O2/c24-18-4-1-5-19(25)23(18)30-13-14(6-9-21(30)31)22(17-8-7-15(26)11-20(17)27)29-32-16-3-2-10-28-12-16/h1,4-9,11,13,16,28H,2-3,10,12H2.
What are the key properties of 1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one?
1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one has a molecular weight of 478.33 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one is sourced from PubChem (CID 173149541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).