1-(2-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one

C24H22ClF2N3O2 — CID 11547063

IUPAC1-(2-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one
SMILESCc1cccc(Cl)c1-n1cc(/C(=N/OC2CCNCC2)c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C24H22ClF2N3O2/c1-15-3-2-4-20(25)24(15)30-14-16(5-8-22(30)31)23(19-7-6-17(26)13-21(19)27)29-32-18-9-11-28-12-10-18/h2-8,13-14,18,28H,9-12H2,1H3/b29-23-
InChIKeyAFBOEFYIAPGAJZ-FAJYDZGRSA-N
MW457.91 g/mol
LogP4.60
Rot. Bonds5

About 1-(2-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one

1-(2-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one (PubChem CID 11547063) has the molecular formula C24H22ClF2N3O2 and a molecular weight of 457.91 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one
PubChem CID11547063
Molecular FormulaC24H22ClF2N3O2
Molecular Weight457.91 g/mol
Exact Mass457.14
IUPAC Name1-(2-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one
SMILESCc1cccc(Cl)c1-n1cc(/C(=N/OC2CCNCC2)c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C24H22ClF2N3O2/c1-15-3-2-4-20(25)24(15)30-14-16(5-8-22(30)31)23(19-7-6-17(26)13-21(19)27)29-32-18-9-11-28-12-10-18/h2-8,13-14,18,28H,9-12H2,1H3/b29-23-
InChIKeyAFBOEFYIAPGAJZ-FAJYDZGRSA-N
XLogP4.60
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 54.60
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-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one (CID 11547063) is 1-(2-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one is Cc1cccc(Cl)c1-n1cc(/C(=N/OC2CCNCC2)c2ccc(F)cc2F)ccc1=O.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one?
The InChIKey is AFBOEFYIAPGAJZ-FAJYDZGRSA-N. The full InChI is InChI=1S/C24H22ClF2N3O2/c1-15-3-2-4-20(25)24(15)30-14-16(5-8-22(30)31)23(19-7-6-17(26)13-21(19)27)29-32-18-9-11-28-12-10-18/h2-8,13-14,18,28H,9-12H2,1H3/b29-23-.
What are the key properties of 1-(2-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one?
1-(2-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one has a molecular weight of 457.91 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one is sourced from PubChem (CID 11547063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).