4-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-N-hydroxy-2-phenylbenzamide

C21H15N3O4 — CID 162643011

IUPAC4-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-N-hydroxy-2-phenylbenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)c3ccncc3C2=O)cc1-c1ccccc1
InChIInChI=1S/C21H15N3O4/c25-19(23-28)15-7-6-13(10-17(15)14-4-2-1-3-5-14)12-24-20(26)16-8-9-22-11-18(16)21(24)27/h1-11,28H,12H2,(H,23,25)
InChIKeyIQPWCCOIBLQJFA-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.66
Rot. Bonds4

About 4-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-N-hydroxy-2-phenylbenzamide

4-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-N-hydroxy-2-phenylbenzamide (PubChem CID 162643011) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is 4-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-N-hydroxy-2-phenylbenzamide.

Molecular Properties

Compound Name4-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-N-hydroxy-2-phenylbenzamide
PubChem CID162643011
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name4-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-N-hydroxy-2-phenylbenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)c3ccncc3C2=O)cc1-c1ccccc1
InChIInChI=1S/C21H15N3O4/c25-19(23-28)15-7-6-13(10-17(15)14-4-2-1-3-5-14)12-24-20(26)16-8-9-22-11-18(16)21(24)27/h1-11,28H,12H2,(H,23,25)
InChIKeyIQPWCCOIBLQJFA-UHFFFAOYSA-N
XLogP2.66
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-N-hydroxy-2-phenylbenzamide?
The IUPAC name of 4-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-N-hydroxy-2-phenylbenzamide (CID 162643011) is 4-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-N-hydroxy-2-phenylbenzamide.
What is the SMILES notation for 4-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-N-hydroxy-2-phenylbenzamide?
The canonical SMILES for 4-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-N-hydroxy-2-phenylbenzamide is O=C(NO)c1ccc(CN2C(=O)c3ccncc3C2=O)cc1-c1ccccc1.
What is the InChIKey of 4-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-N-hydroxy-2-phenylbenzamide?
The InChIKey is IQPWCCOIBLQJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c25-19(23-28)15-7-6-13(10-17(15)14-4-2-1-3-5-14)12-24-20(26)16-8-9-22-11-18(16)21(24)27/h1-11,28H,12H2,(H,23,25).
What are the key properties of 4-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-N-hydroxy-2-phenylbenzamide?
4-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-N-hydroxy-2-phenylbenzamide has a molecular weight of 373.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-N-hydroxy-2-phenylbenzamide is sourced from PubChem (CID 162643011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).