N-[6-(4-fluorophenoxy)-3-pyridinyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide

C25H20FN3O5 — CID 55965083

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C25H20FN3O5/c26-16-4-7-18(8-5-16)34-22-10-6-17(13-27-22)28-23(30)15-3-9-20-21(12-15)25(32)29(24(20)31)14-19-2-1-11-33-19/h3-10,12-13,19H,1-2,11,14H2,(H,28,30)
InChIKeyLPDCPACJSVXWPH-UHFFFAOYSA-N
MW461.45 g/mol
LogP4.04
Rot. Bonds6

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide

N-[6-(4-fluorophenoxy)-3-pyridinyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide (PubChem CID 55965083) has the molecular formula C25H20FN3O5 and a molecular weight of 461.45 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
PubChem CID55965083
Molecular FormulaC25H20FN3O5
Molecular Weight461.45 g/mol
Exact Mass461.14
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C25H20FN3O5/c26-16-4-7-18(8-5-16)34-22-10-6-17(13-27-22)28-23(30)15-3-9-20-21(12-15)25(32)29(24(20)31)14-19-2-1-11-33-19/h3-10,12-13,19H,1-2,11,14H2,(H,28,30)
InChIKeyLPDCPACJSVXWPH-UHFFFAOYSA-N
XLogP4.04
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide (CID 55965083) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The InChIKey is LPDCPACJSVXWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O5/c26-16-4-7-18(8-5-16)34-22-10-6-17(13-27-22)28-23(30)15-3-9-20-21(12-15)25(32)29(24(20)31)14-19-2-1-11-33-19/h3-10,12-13,19H,1-2,11,14H2,(H,28,30).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide has a molecular weight of 461.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide is sourced from PubChem (CID 55965083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).