N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide

C13H19N3O — CID 115272186

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide
SMILESCN(CC1(CN)CCC1)C(=O)c1ccncc1
InChIInChI=1S/C13H19N3O/c1-16(10-13(9-14)5-2-6-13)12(17)11-3-7-15-8-4-11/h3-4,7-8H,2,5-6,9-10,14H2,1H3
InChIKeyFAGRSCAAIFBYDJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.28
Rot. Bonds4

About N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide

N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide (PubChem CID 115272186) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide
PubChem CID115272186
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide
SMILESCN(CC1(CN)CCC1)C(=O)c1ccncc1
InChIInChI=1S/C13H19N3O/c1-16(10-13(9-14)5-2-6-13)12(17)11-3-7-15-8-4-11/h3-4,7-8H,2,5-6,9-10,14H2,1H3
InChIKeyFAGRSCAAIFBYDJ-UHFFFAOYSA-N
XLogP1.28
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylbenzamide
CID 115267586
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide
CID 115272202
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-4-propan-2-ylbenzamide
CID 115272619
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide
CID 115272187
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 115272627
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 104677611
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide
CID 115267700
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide
CID 115272631
N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide
CID 84515347
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide
CID 115267579
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-ethyl-N-methylbutanamide
CID 115267583

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide (CID 115272186) is N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide is CN(CC1(CN)CCC1)C(=O)c1ccncc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is FAGRSCAAIFBYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(10-13(9-14)5-2-6-13)12(17)11-3-7-15-8-4-11/h3-4,7-8H,2,5-6,9-10,14H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide?
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 115272186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).