2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide

C23H21N3O5 — CID 55780592

IUPAC2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C23H21N3O5/c1-14(2)31-21-16(5-3-9-24-21)12-25-20(27)15-7-8-18-19(11-15)23(29)26(22(18)28)13-17-6-4-10-30-17/h3-11,14H,12-13H2,1-2H3,(H,25,27)
InChIKeyCRGYUBWDWJCZCN-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.19
Rot. Bonds7

About 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide

2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide (PubChem CID 55780592) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide
PubChem CID55780592
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C23H21N3O5/c1-14(2)31-21-16(5-3-9-24-21)12-25-20(27)15-7-8-18-19(11-15)23(29)26(22(18)28)13-17-6-4-10-30-17/h3-11,14H,12-13H2,1-2H3,(H,25,27)
InChIKeyCRGYUBWDWJCZCN-UHFFFAOYSA-N
XLogP3.19
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide with MolForge

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Related Compounds

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 55692711
2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide
CID 38432437
1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide
CID 55780551
2-(furan-2-ylmethyl)-1,3-dioxo-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
CID 31302519
2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]isoindole-5-carboxamide
CID 51578753
N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 2204091
2-(furan-2-ylmethyl)-1,3-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]isoindole-5-carboxamide
CID 55610660
N-tert-butyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 839536
methyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate
CID 166435048
2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-5-carboxamide
CID 108749021
methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate
CID 55513783
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 2490847

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide?
The IUPAC name of 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide (CID 55780592) is 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide is CC(C)Oc1ncccc1CNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O.
What is the InChIKey of 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide?
The InChIKey is CRGYUBWDWJCZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-14(2)31-21-16(5-3-9-24-21)12-25-20(27)15-7-8-18-19(11-15)23(29)26(22(18)28)13-17-6-4-10-30-17/h3-11,14H,12-13H2,1-2H3,(H,25,27).
What are the key properties of 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide?
2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide is sourced from PubChem (CID 55780592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).