1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide

C13H15N3O — CID 78994564

IUPAC1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
SMILESCN(Cc1ccncc1)C(=O)C1(C#N)CCC1
InChIInChI=1S/C13H15N3O/c1-16(9-11-3-7-15-8-4-11)12(17)13(10-14)5-2-6-13/h3-4,7-8H,2,5-6,9H2,1H3
InChIKeyNQUSRVAZYPVZJJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.73
Rot. Bonds3

About 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide

1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 78994564) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
PubChem CID78994564
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
SMILESCN(Cc1ccncc1)C(=O)C1(C#N)CCC1
InChIInChI=1S/C13H15N3O/c1-16(9-11-3-7-15-8-4-11)12(17)13(10-14)5-2-6-13/h3-4,7-8H,2,5-6,9H2,1H3
InChIKeyNQUSRVAZYPVZJJ-UHFFFAOYSA-N
XLogP1.73
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 47413974
1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 78994705
N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
CID 60678400
N-[(4-chlorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80597882
N-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 115183752
1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 80587212
1-cyano-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 61482749
1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
CID 115183346
1-cyano-N-ethyl-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 103668302
N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
CID 80500969
1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide
CID 115181752
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide
CID 105417788

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide (CID 78994564) is 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide is CN(Cc1ccncc1)C(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is NQUSRVAZYPVZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16(9-11-3-7-15-8-4-11)12(17)13(10-14)5-2-6-13/h3-4,7-8H,2,5-6,9H2,1H3.
What are the key properties of 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide?
1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78994564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).