2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

C14H21N3O — CID 64824292

IUPAC2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1cccnc1)C(=O)C1CCCCC1N
InChIInChI=1S/C14H21N3O/c1-17(10-11-5-4-8-16-9-11)14(18)12-6-2-3-7-13(12)15/h4-5,8-9,12-13H,2-3,6-7,10,15H2,1H3
InChIKeyYSIIEHFMDDITID-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.56
Rot. Bonds3

About 2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 64824292) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID64824292
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1cccnc1)C(=O)C1CCCCC1N
InChIInChI=1S/C14H21N3O/c1-17(10-11-5-4-8-16-9-11)14(18)12-6-2-3-7-13(12)15/h4-5,8-9,12-13H,2-3,6-7,10,15H2,1H3
InChIKeyYSIIEHFMDDITID-UHFFFAOYSA-N
XLogP1.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958234
(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61155587
4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79210443
cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate
CID 112738794
2-amino-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
CID 64822976
2-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 79569163
2-amino-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 82237360
1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551039
4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497568
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 64822535
2-amino-N-[(2-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682173
2-amino-N-[(2-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682653

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide (CID 64824292) is 2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide is CN(Cc1cccnc1)C(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is YSIIEHFMDDITID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(10-11-5-4-8-16-9-11)14(18)12-6-2-3-7-13(12)15/h4-5,8-9,12-13H,2-3,6-7,10,15H2,1H3.
What are the key properties of 2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64824292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).