5-(4-iodophenyl)-5-methyl-3-[(3-phenylmethoxy-2-pyridinyl)amino]oxolan-2-one

C23H21IN2O3 — CID 10278637

IUPAC5-(4-iodophenyl)-5-methyl-3-[(3-phenylmethoxy-2-pyridinyl)amino]oxolan-2-one
SMILESCC1(c2ccc(I)cc2)CC(Nc2ncccc2OCc2ccccc2)C(=O)O1
InChIInChI=1S/C23H21IN2O3/c1-23(17-9-11-18(24)12-10-17)14-19(22(27)29-23)26-21-20(8-5-13-25-21)28-15-16-6-3-2-4-7-16/h2-13,19H,14-15H2,1H3,(H,25,26)
InChIKeyDLWPISLCPOMXSR-UHFFFAOYSA-N
MW500.34 g/mol
LogP4.91
Rot. Bonds6

About 5-(4-iodophenyl)-5-methyl-3-[(3-phenylmethoxy-2-pyridinyl)amino]oxolan-2-one

5-(4-iodophenyl)-5-methyl-3-[(3-phenylmethoxy-2-pyridinyl)amino]oxolan-2-one (PubChem CID 10278637) has the molecular formula C23H21IN2O3 and a molecular weight of 500.34 g/mol. Its IUPAC name is 5-(4-iodophenyl)-5-methyl-3-[(3-phenylmethoxy-2-pyridinyl)amino]oxolan-2-one.

Molecular Properties

Compound Name5-(4-iodophenyl)-5-methyl-3-[(3-phenylmethoxy-2-pyridinyl)amino]oxolan-2-one
PubChem CID10278637
Molecular FormulaC23H21IN2O3
Molecular Weight500.34 g/mol
Exact Mass500.06
IUPAC Name5-(4-iodophenyl)-5-methyl-3-[(3-phenylmethoxy-2-pyridinyl)amino]oxolan-2-one
SMILESCC1(c2ccc(I)cc2)CC(Nc2ncccc2OCc2ccccc2)C(=O)O1
InChIInChI=1S/C23H21IN2O3/c1-23(17-9-11-18(24)12-10-17)14-19(22(27)29-23)26-21-20(8-5-13-25-21)28-15-16-6-3-2-4-7-16/h2-13,19H,14-15H2,1H3,(H,25,26)
InChIKeyDLWPISLCPOMXSR-UHFFFAOYSA-N
XLogP4.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.34
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-iodophenyl)-5-methyl-3-[(3-phenylmethoxy-2-pyridinyl)amino]oxolan-2-one?
The IUPAC name of 5-(4-iodophenyl)-5-methyl-3-[(3-phenylmethoxy-2-pyridinyl)amino]oxolan-2-one (CID 10278637) is 5-(4-iodophenyl)-5-methyl-3-[(3-phenylmethoxy-2-pyridinyl)amino]oxolan-2-one.
What is the SMILES notation for 5-(4-iodophenyl)-5-methyl-3-[(3-phenylmethoxy-2-pyridinyl)amino]oxolan-2-one?
The canonical SMILES for 5-(4-iodophenyl)-5-methyl-3-[(3-phenylmethoxy-2-pyridinyl)amino]oxolan-2-one is CC1(c2ccc(I)cc2)CC(Nc2ncccc2OCc2ccccc2)C(=O)O1.
What is the InChIKey of 5-(4-iodophenyl)-5-methyl-3-[(3-phenylmethoxy-2-pyridinyl)amino]oxolan-2-one?
The InChIKey is DLWPISLCPOMXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21IN2O3/c1-23(17-9-11-18(24)12-10-17)14-19(22(27)29-23)26-21-20(8-5-13-25-21)28-15-16-6-3-2-4-7-16/h2-13,19H,14-15H2,1H3,(H,25,26).
What are the key properties of 5-(4-iodophenyl)-5-methyl-3-[(3-phenylmethoxy-2-pyridinyl)amino]oxolan-2-one?
5-(4-iodophenyl)-5-methyl-3-[(3-phenylmethoxy-2-pyridinyl)amino]oxolan-2-one has a molecular weight of 500.34 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodophenyl)-5-methyl-3-[(3-phenylmethoxy-2-pyridinyl)amino]oxolan-2-one is sourced from PubChem (CID 10278637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).