4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide

C22H18ClN3O5 — CID 11561249

IUPAC4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1OCOC1C(=O)Nc1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C22H18ClN3O5/c23-14-4-6-15(7-5-14)24-21(28)19-20(31-13-30-19)22(29)25-16-8-10-17(11-9-16)26-12-2-1-3-18(26)27/h1-12,19-20H,13H2,(H,24,28)(H,25,29)
InChIKeyKMXYMVJJXYMMTQ-UHFFFAOYSA-N
MW439.86 g/mol
LogP2.81
Rot. Bonds5

About 4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide

4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide (PubChem CID 11561249) has the molecular formula C22H18ClN3O5 and a molecular weight of 439.86 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide
PubChem CID11561249
Molecular FormulaC22H18ClN3O5
Molecular Weight439.86 g/mol
Exact Mass439.09
IUPAC Name4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1OCOC1C(=O)Nc1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C22H18ClN3O5/c23-14-4-6-15(7-5-14)24-21(28)19-20(31-13-30-19)22(29)25-16-8-10-17(11-9-16)26-12-2-1-3-18(26)27/h1-12,19-20H,13H2,(H,24,28)(H,25,29)
InChIKeyKMXYMVJJXYMMTQ-UHFFFAOYSA-N
XLogP2.81
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.86
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide?
The IUPAC name of 4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide (CID 11561249) is 4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide?
The canonical SMILES for 4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide is O=C(Nc1ccc(Cl)cc1)C1OCOC1C(=O)Nc1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide?
The InChIKey is KMXYMVJJXYMMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O5/c23-14-4-6-15(7-5-14)24-21(28)19-20(31-13-30-19)22(29)25-16-8-10-17(11-9-16)26-12-2-1-3-18(26)27/h1-12,19-20H,13H2,(H,24,28)(H,25,29).
What are the key properties of 4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide?
4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide has a molecular weight of 439.86 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide is sourced from PubChem (CID 11561249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).