3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide

C19H21N7O4 — CID 154849351

IUPAC3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide
SMILESCC(=O)c1cn(C2CN(C(=O)NCc3cccc(C4(C)NC(=O)NC4=O)c3)C2)nn1
InChIInChI=1S/C19H21N7O4/c1-11(27)15-10-26(24-23-15)14-8-25(9-14)18(30)20-7-12-4-3-5-13(6-12)19(2)16(28)21-17(29)22-19/h3-6,10,14H,7-9H2,1-2H3,(H,20,30)(H2,21,22,28,29)
InChIKeyFSOFMMUBAMNCFH-UHFFFAOYSA-N
MW411.42 g/mol
LogP0.30
Rot. Bonds5

About 3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide

3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide (PubChem CID 154849351) has the molecular formula C19H21N7O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is 3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide
PubChem CID154849351
Molecular FormulaC19H21N7O4
Molecular Weight411.42 g/mol
Exact Mass411.17
IUPAC Name3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide
SMILESCC(=O)c1cn(C2CN(C(=O)NCc3cccc(C4(C)NC(=O)NC4=O)c3)C2)nn1
InChIInChI=1S/C19H21N7O4/c1-11(27)15-10-26(24-23-15)14-8-25(9-14)18(30)20-7-12-4-3-5-13(6-12)19(2)16(28)21-17(29)22-19/h3-6,10,14H,7-9H2,1-2H3,(H,20,30)(H2,21,22,28,29)
InChIKeyFSOFMMUBAMNCFH-UHFFFAOYSA-N
XLogP0.30
TPSA138.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide
CID 154872827
4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
CID 154833713
N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 154837514
N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154840618
N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 166231958
3-(1,3-benzothiazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
CID 166182755
4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
CID 154833714
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
CID 166206329
acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione
CID 162338446
3-(3-but-3-ynyldiazirin-3-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]propanamide
CID 166409520
1-[1-(2-methoxyethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79312191
1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid
CID 120512322

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide?
The IUPAC name of 3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide (CID 154849351) is 3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide is CC(=O)c1cn(C2CN(C(=O)NCc3cccc(C4(C)NC(=O)NC4=O)c3)C2)nn1.
What is the InChIKey of 3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide?
The InChIKey is FSOFMMUBAMNCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O4/c1-11(27)15-10-26(24-23-15)14-8-25(9-14)18(30)20-7-12-4-3-5-13(6-12)19(2)16(28)21-17(29)22-19/h3-6,10,14H,7-9H2,1-2H3,(H,20,30)(H2,21,22,28,29).
What are the key properties of 3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide?
3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide is sourced from PubChem (CID 154849351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).