1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide

C13H19N3O — CID 80588086

IUPAC1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCc2cccnc2)C1
InChIInChI=1S/C13H19N3O/c1-10-5-13(6-10,9-14)12(17)16-8-11-3-2-4-15-7-11/h2-4,7,10H,5-6,8-9,14H2,1H3,(H,16,17)
InChIKeyBRSKNYAQIHHNBH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.07
Rot. Bonds4

About 1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide

1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 80588086) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide
PubChem CID80588086
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCc2cccnc2)C1
InChIInChI=1S/C13H19N3O/c1-10-5-13(6-10,9-14)12(17)16-8-11-3-2-4-15-7-11/h2-4,7,10H,5-6,8-9,14H2,1H3,(H,16,17)
InChIKeyBRSKNYAQIHHNBH-UHFFFAOYSA-N
XLogP1.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 115441427
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide
CID 6468967
(15R)-15-methyl-N-(pyridin-3-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1253739
1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970227
1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide
CID 80599154
1-[(E)-N'-hydroxycarbamimidoyl]-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 80591201
1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea
CID 96520014
(1R,4R)-4,7,7-trimethyl-3-oxo-N-(pyridin-3-ylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 6543993
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea
CID 108870288
(1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 98086101

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide (CID 80588086) is 1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide is CC1CC(CN)(C(=O)NCc2cccnc2)C1.
What is the InChIKey of 1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is BRSKNYAQIHHNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-5-13(6-10,9-14)12(17)16-8-11-3-2-4-15-7-11/h2-4,7,10H,5-6,8-9,14H2,1H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80588086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).