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

C14H21N3O — CID 115183752

IUPACN-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
SMILESCNCC1(C(=O)N(C)Cc2ccncc2)CCC1
InChIInChI=1S/C14H21N3O/c1-15-11-14(6-3-7-14)13(18)17(2)10-12-4-8-16-9-5-12/h4-5,8-9,15H,3,6-7,10-11H2,1-2H3
InChIKeyUQINFHPPWYUOGO-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.43
Rot. Bonds5

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

N-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 115183752) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
PubChem CID115183752
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
SMILESCNCC1(C(=O)N(C)Cc2ccncc2)CCC1
InChIInChI=1S/C14H21N3O/c1-15-11-14(6-3-7-14)13(18)17(2)10-12-4-8-16-9-5-12/h4-5,8-9,15H,3,6-7,10-11H2,1-2H3
InChIKeyUQINFHPPWYUOGO-UHFFFAOYSA-N
XLogP1.43
TPSA45.23 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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 80587212
1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 78994564
1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 47413974
N-ethyl-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183652
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183743
N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183080
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 43564524
N-methyl-1-(methylaminomethyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 115183654
N-methyl-1-(methylaminomethyl)-N-propan-2-ylcyclobutane-1-carboxamide
CID 115183656
1-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447419
N-[(2-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183079
1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446462

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide (CID 115183752) is N-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide is CNCC1(C(=O)N(C)Cc2ccncc2)CCC1.
What is the InChIKey of N-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is UQINFHPPWYUOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15-11-14(6-3-7-14)13(18)17(2)10-12-4-8-16-9-5-12/h4-5,8-9,15H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide?
N-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115183752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).