1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide

C13H21N3O — CID 178052735

IUPAC1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide
SMILESCC1CN(C)CC1N(C)C(=O)C1(C#N)CCC1
InChIInChI=1S/C13H21N3O/c1-10-7-15(2)8-11(10)16(3)12(17)13(9-14)5-4-6-13/h10-11H,4-8H2,1-3H3
InChIKeyAIRFIXPRHJGYFX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.09
Rot. Bonds2

About 1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide

1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide (PubChem CID 178052735) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide
PubChem CID178052735
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide
SMILESCC1CN(C)CC1N(C)C(=O)C1(C#N)CCC1
InChIInChI=1S/C13H21N3O/c1-10-7-15(2)8-11(10)16(3)12(17)13(9-14)5-4-6-13/h10-11H,4-8H2,1-3H3
InChIKeyAIRFIXPRHJGYFX-UHFFFAOYSA-N
XLogP1.09
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
CID 115183296
1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 79005497
1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 115183353
1-cyano-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutane-1-carboxamide
CID 115183405
1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide
CID 78994709
1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 56828911
1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 81464602
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide
CID 105417788
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide
CID 105417802
1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide
CID 111758296
1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide
CID 62862227
1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 78994637

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide (CID 178052735) is 1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide is CC1CN(C)CC1N(C)C(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is AIRFIXPRHJGYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-7-15(2)8-11(10)16(3)12(17)13(9-14)5-4-6-13/h10-11H,4-8H2,1-3H3.
What are the key properties of 1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide?
1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 178052735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).