4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide

C17H15N3O3 — CID 51197428

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H15N3O3/c21-15-7-8-16(22)20(15)11-12-3-5-13(6-4-12)17(23)19-14-2-1-9-18-10-14/h1-6,9-10H,7-8,11H2,(H,19,23)
InChIKeyOPHHDKGRIWPWJV-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.98
Rot. Bonds4

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide (PubChem CID 51197428) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
PubChem CID51197428
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H15N3O3/c21-15-7-8-16(22)20(15)11-12-3-5-13(6-4-12)17(23)19-14-2-1-9-18-10-14/h1-6,9-10H,7-8,11H2,(H,19,23)
InChIKeyOPHHDKGRIWPWJV-UHFFFAOYSA-N
XLogP1.98
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 30873270
N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 86931987
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17498612
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
4-[(2-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)methyl]-N-pyridin-3-ylbenzamide
CID 50958785
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide
CID 43921733
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
(2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid
CID 146352508
N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27648532

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide (CID 51197428) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide?
The InChIKey is OPHHDKGRIWPWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-15-7-8-16(22)20(15)11-12-3-5-13(6-4-12)17(23)19-14-2-1-9-18-10-14/h1-6,9-10H,7-8,11H2,(H,19,23).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide has a molecular weight of 309.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 51197428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).