3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide

C20H17N5O3 — CID 167917933

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C20H17N5O3/c26-18-4-5-19(27)25(18)16-3-1-2-15(11-16)20(28)23-12-14-6-7-22-17(10-14)24-9-8-21-13-24/h1-3,6-11,13H,4-5,12H2,(H,23,28)
InChIKeyXJCOLMDIPYZYND-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.85
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide (PubChem CID 167917933) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
PubChem CID167917933
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C20H17N5O3/c26-18-4-5-19(27)25(18)16-3-1-2-15(11-16)20(28)23-12-14-6-7-22-17(10-14)24-9-8-21-13-24/h1-3,6-11,13H,4-5,12H2,(H,23,28)
InChIKeyXJCOLMDIPYZYND-UHFFFAOYSA-N
XLogP1.85
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohexyl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526309
2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide
CID 51085922
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56816401
N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47068369
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 136523432
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide
CID 136526673
3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 7772353
2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 51085856
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide
CID 47060911
3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea
CID 136527613
2-(cyclopropylmethylamino)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119859974
1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 134813239

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide (CID 167917933) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide is O=C(NCc1ccnc(-n2ccnc2)c1)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is XJCOLMDIPYZYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c26-18-4-5-19(27)25(18)16-3-1-2-15(11-16)20(28)23-12-14-6-7-22-17(10-14)24-9-8-21-13-24/h1-3,6-11,13H,4-5,12H2,(H,23,28).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 375.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 167917933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).