1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C16H22N4O3 — CID 167858307

IUPAC1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(C2CN(C(=O)C3(C#N)CC(C)C3)C2)C1
InChIInChI=1S/C16H22N4O3/c1-10-4-16(5-10,9-17)15(23)19-7-12(8-19)20-6-11(3-13(20)21)14(22)18-2/h10-12H,3-8H2,1-2H3,(H,18,22)
InChIKeyWOVSXDCWFGLFRR-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.27
Rot. Bonds3

About 1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide

1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 167858307) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID167858307
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(C2CN(C(=O)C3(C#N)CC(C)C3)C2)C1
InChIInChI=1S/C16H22N4O3/c1-10-4-16(5-10,9-17)15(23)19-7-12(8-19)20-6-11(3-13(20)21)14(22)18-2/h10-12H,3-8H2,1-2H3,(H,18,22)
InChIKeyWOVSXDCWFGLFRR-UHFFFAOYSA-N
XLogP-0.27
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
CID 80501195
1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 167982047
3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 80501516
(3R)-N-[(3S)-3-cyanothiolan-3-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 95175650
3-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 112698946
1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 154768195
3-methyl-1-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)cyclobutane-1-carbonitrile
CID 80501383
1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile
CID 82695487
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119504992
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 167858307) is 1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CNC(=O)C1CC(=O)N(C2CN(C(=O)C3(C#N)CC(C)C3)C2)C1.
What is the InChIKey of 1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WOVSXDCWFGLFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10-4-16(5-10,9-17)15(23)19-7-12(8-19)20-6-11(3-13(20)21)14(22)18-2/h10-12H,3-8H2,1-2H3,(H,18,22).
What are the key properties of 1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyano-3-methylcyclobutanecarbonyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 167858307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).