N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide

C20H15N3O4 — CID 2204091

IUPACN-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O
InChIInChI=1S/C20H15N3O4/c24-18(22-11-15-4-2-8-27-15)14-5-6-16-17(9-14)20(26)23(19(16)25)12-13-3-1-7-21-10-13/h1-10H,11-12H2,(H,22,24)
InChIKeyHFRZUPPGQKSSHV-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.40
Rot. Bonds5

About N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide

N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide (PubChem CID 2204091) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
PubChem CID2204091
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC NameN-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O
InChIInChI=1S/C20H15N3O4/c24-18(22-11-15-4-2-8-27-15)14-5-6-16-17(9-14)20(26)23(19(16)25)12-13-3-1-7-21-10-13/h1-10H,11-12H2,(H,22,24)
InChIKeyHFRZUPPGQKSSHV-UHFFFAOYSA-N
XLogP2.40
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 1026487
2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-5-carboxamide
CID 108749021
3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877403
1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 2993985
2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide
CID 38432437
2-(furan-2-ylmethyl)-1,3-dioxo-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
CID 31302519
N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1087305
N-(3-hydroxyphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 2185532
(11S)-5-benzyl-N-(furan-2-ylmethyl)-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 92663103
2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide
CID 55780592
2-(furan-2-ylmethyl)-1,3-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]isoindole-5-carboxamide
CID 55610660
N-(3-ethenylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 2977744

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide (CID 2204091) is N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide is O=C(NCc1ccco1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O.
What is the InChIKey of N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The InChIKey is HFRZUPPGQKSSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c24-18(22-11-15-4-2-8-27-15)14-5-6-16-17(9-14)20(26)23(19(16)25)12-13-3-1-7-21-10-13/h1-10H,11-12H2,(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide is sourced from PubChem (CID 2204091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).