N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide

C20H25N5O2 — CID 166248205

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C3CC(=O)N(C4CN(C)C4)C3)cc2)c1C
InChIInChI=1S/C20H25N5O2/c1-13-14(2)25(12-21-13)17-6-4-16(5-7-17)22-20(27)15-8-19(26)24(9-15)18-10-23(3)11-18/h4-7,12,15,18H,8-11H2,1-3H3,(H,22,27)
InChIKeyZVIRMXPMIMXMLX-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.59
Rot. Bonds4

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 166248205) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID166248205
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C3CC(=O)N(C4CN(C)C4)C3)cc2)c1C
InChIInChI=1S/C20H25N5O2/c1-13-14(2)25(12-21-13)17-6-4-16(5-7-17)22-20(27)15-8-19(26)24(9-15)18-10-23(3)11-18/h4-7,12,15,18H,8-11H2,1-3H3,(H,22,27)
InChIKeyZVIRMXPMIMXMLX-UHFFFAOYSA-N
XLogP1.59
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 166285379
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide
CID 166278294
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-methylsulfonylcyclohexane-1-carboxamide
CID 166251163
1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide
CID 166215537
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide
CID 166215859
N-(5-fluoro-3-pyridinyl)-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 154768459
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 166215680
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
N-(1-ethylpyrazol-3-yl)-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 167744728
N-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 154768485
N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 167941362
1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 167903719

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 166248205) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide is Cc1ncn(-c2ccc(NC(=O)C3CC(=O)N(C4CN(C)C4)C3)cc2)c1C.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZVIRMXPMIMXMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-14(2)25(12-21-13)17-6-4-16(5-7-17)22-20(27)15-8-19(26)24(9-15)18-10-23(3)11-18/h4-7,12,15,18H,8-11H2,1-3H3,(H,22,27).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166248205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).