5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one

C24H16Cl2F2N4O2 — CID 87741954

IUPAC5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one
SMILESNc1cccc(CO/N=C(\c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2)c2ccc(F)cc2F)n1
InChIInChI=1S/C24H16Cl2F2N4O2/c25-18-4-2-5-19(26)24(18)32-12-14(7-10-22(32)33)23(17-9-8-15(27)11-20(17)28)31-34-13-16-3-1-6-21(29)30-16/h1-12H,13H2,(H2,29,30)/b31-23+
InChIKeyLYCKLDZVGIGTBS-UQRQXUALSA-N
MW501.32 g/mol
LogP5.37
Rot. Bonds6

About 5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one

5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one (PubChem CID 87741954) has the molecular formula C24H16Cl2F2N4O2 and a molecular weight of 501.32 g/mol. Its IUPAC name is 5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one.

Molecular Properties

Compound Name5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one
PubChem CID87741954
Molecular FormulaC24H16Cl2F2N4O2
Molecular Weight501.32 g/mol
Exact Mass500.06
IUPAC Name5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one
SMILESNc1cccc(CO/N=C(\c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2)c2ccc(F)cc2F)n1
InChIInChI=1S/C24H16Cl2F2N4O2/c25-18-4-2-5-19(26)24(18)32-12-14(7-10-22(32)33)23(17-9-8-15(27)11-20(17)28)31-34-13-16-3-1-6-21(29)30-16/h1-12H,13H2,(H2,29,30)/b31-23+
InChIKeyLYCKLDZVGIGTBS-UQRQXUALSA-N
XLogP5.37
TPSA82.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.32
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one?
The IUPAC name of 5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one (CID 87741954) is 5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one.
What is the SMILES notation for 5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one?
The canonical SMILES for 5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one is Nc1cccc(CO/N=C(\c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2)c2ccc(F)cc2F)n1.
What is the InChIKey of 5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one?
The InChIKey is LYCKLDZVGIGTBS-UQRQXUALSA-N. The full InChI is InChI=1S/C24H16Cl2F2N4O2/c25-18-4-2-5-19(26)24(18)32-12-14(7-10-22(32)33)23(17-9-8-15(27)11-20(17)28)31-34-13-16-3-1-6-21(29)30-16/h1-12H,13H2,(H2,29,30)/b31-23+.
What are the key properties of 5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one?
5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one has a molecular weight of 501.32 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one is sourced from PubChem (CID 87741954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).