N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide

C14H21N3O — CID 115272202

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide
SMILESCN(CC1(CN)CCC1)C(=O)Cc1ccncc1
InChIInChI=1S/C14H21N3O/c1-17(11-14(10-15)5-2-6-14)13(18)9-12-3-7-16-8-4-12/h3-4,7-8H,2,5-6,9-11,15H2,1H3
InChIKeyWBZNRPBGPPHNLF-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.21
Rot. Bonds5

About N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide

N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide (PubChem CID 115272202) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide
PubChem CID115272202
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide
SMILESCN(CC1(CN)CCC1)C(=O)Cc1ccncc1
InChIInChI=1S/C14H21N3O/c1-17(11-14(10-15)5-2-6-14)13(18)9-12-3-7-16-8-4-12/h3-4,7-8H,2,5-6,9-11,15H2,1H3
InChIKeyWBZNRPBGPPHNLF-UHFFFAOYSA-N
XLogP1.21
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide
CID 115272186
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 104677611
N-(3-aminopropyl)-N-methyl-2-pyridin-4-ylacetamide
CID 115318955
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 115267710
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide
CID 115267579
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide
CID 115272233
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide
CID 115272681
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide
CID 115272187
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide
CID 115272670
1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 80587212
methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate
CID 54997473
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide
CID 115272674

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide (CID 115272202) is N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide is CN(CC1(CN)CCC1)C(=O)Cc1ccncc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide?
The InChIKey is WBZNRPBGPPHNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(11-14(10-15)5-2-6-14)13(18)9-12-3-7-16-8-4-12/h3-4,7-8H,2,5-6,9-11,15H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide?
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide has a molecular weight of 247.34 g/mol, XLogP of 1.21, 5 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-methyl-2-pyridin-4-ylacetamide is sourced from PubChem (CID 115272202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).