3-(aminomethyl)-1-cycloheptylpyridin-2-one

C13H20N2O — CID 105476557

IUPAC3-(aminomethyl)-1-cycloheptylpyridin-2-one
SMILESNCc1cccn(C2CCCCCC2)c1=O
InChIInChI=1S/C13H20N2O/c14-10-11-6-5-9-15(13(11)16)12-7-3-1-2-4-8-12/h5-6,9,12H,1-4,7-8,10,14H2
InChIKeyXFLUMTLYCOYDRY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.20
Rot. Bonds2

About 3-(aminomethyl)-1-cycloheptylpyridin-2-one

3-(aminomethyl)-1-cycloheptylpyridin-2-one (PubChem CID 105476557) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cycloheptylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-cycloheptylpyridin-2-one
PubChem CID105476557
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(aminomethyl)-1-cycloheptylpyridin-2-one
SMILESNCc1cccn(C2CCCCCC2)c1=O
InChIInChI=1S/C13H20N2O/c14-10-11-6-5-9-15(13(11)16)12-7-3-1-2-4-8-12/h5-6,9,12H,1-4,7-8,10,14H2
InChIKeyXFLUMTLYCOYDRY-UHFFFAOYSA-N
XLogP2.20
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-mercaptonicotinamide
CID 4407879
N-cyclooctyl-2-oxo-1H-pyridine-3-carboxamide
CID 25662538
N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 86768741
1-(4-Fluoroheptyl)-2-oxopyridine-3-carboxamide
CID 134374958
N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide
CID 16346845
1-Cycloheptyl-2-sulfanylidenepyridine-3-carboxamide
CID 45086853
3-(Aminomethyl)-1-propan-2-ylpyridin-2-one
CID 57640674
3-Aminomethyl-1'-methyl-1',2',3',4',5',6'-hexahydro-[1,4']bipyridinyl-2-one
CID 83489575
(2E)-2-[(Z)-2-aminoethenyl]-1-(4-aminopiperidin-1-yl)penta-2,4-dien-1-one
CID 88267914
N-heptan-4-yl-1-methyl-2-methylidenepyridine-3-carboxamide
CID 89049741
3-(azepan-1-ylmethyl)-1H-pyridin-2-one
CID 123976355
1,2-dihydropyridin-3-yl-[(7R)-4-ethyl-2,7-dimethylazepan-1-yl]methanone
CID 139470966

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-cycloheptylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-cycloheptylpyridin-2-one (CID 105476557) is 3-(aminomethyl)-1-cycloheptylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-cycloheptylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-cycloheptylpyridin-2-one is NCc1cccn(C2CCCCCC2)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-cycloheptylpyridin-2-one?
The InChIKey is XFLUMTLYCOYDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-10-11-6-5-9-15(13(11)16)12-7-3-1-2-4-8-12/h5-6,9,12H,1-4,7-8,10,14H2.
What are the key properties of 3-(aminomethyl)-1-cycloheptylpyridin-2-one?
3-(aminomethyl)-1-cycloheptylpyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-cycloheptylpyridin-2-one is sourced from PubChem (CID 105476557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).