1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide

C14H23N3O — CID 80502375

IUPAC1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCCCN2CCCC2)C1
InChIInChI=1S/C14H23N3O/c1-12-9-14(10-12,11-15)13(18)16-5-4-8-17-6-2-3-7-17/h12H,2-10H2,1H3,(H,16,18)
InChIKeyHLCBVKDSDMANOE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.53
Rot. Bonds5

About 1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide

1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide (PubChem CID 80502375) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
PubChem CID80502375
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCCCN2CCCC2)C1
InChIInChI=1S/C14H23N3O/c1-12-9-14(10-12,11-15)13(18)16-5-4-8-17-6-2-3-7-17/h12H,2-10H2,1H3,(H,16,18)
InChIKeyHLCBVKDSDMANOE-UHFFFAOYSA-N
XLogP1.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 78994411
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide
CID 103752016
1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 80502317
1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide
CID 80502256
1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide
CID 114617272
1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide
CID 104694756
1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119831195
1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
CID 119831267
N-(2-chloroprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 115693600
1-amino-N-(3-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 81179848
1-amino-N-(3-piperidin-1-ylpropyl)cyclopentane-1-carboxamide
CID 60867938

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide (CID 80502375) is 1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NCCCN2CCCC2)C1.
What is the InChIKey of 1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide?
The InChIKey is HLCBVKDSDMANOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-9-14(10-12,11-15)13(18)16-5-4-8-17-6-2-3-7-17/h12H,2-10H2,1H3,(H,16,18).
What are the key properties of 1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80502375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).