3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one

C13H20N2O2 — CID 107073173

IUPAC3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
SMILESCc1ccc(CN)c(=O)n1CCC1CCCO1
InChIInChI=1S/C13H20N2O2/c1-10-4-5-11(9-14)13(16)15(10)7-6-12-3-2-8-17-12/h4-5,12H,2-3,6-9,14H2,1H3
InChIKeyQYKWQAUSZKYKKQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.18
Rot. Bonds4

About 3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one

3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one (PubChem CID 107073173) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
PubChem CID107073173
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
SMILESCc1ccc(CN)c(=O)n1CCC1CCCO1
InChIInChI=1S/C13H20N2O2/c1-10-4-5-11(9-14)13(16)15(10)7-6-12-3-2-8-17-12/h4-5,12H,2-3,6-9,14H2,1H3
InChIKeyQYKWQAUSZKYKKQ-UHFFFAOYSA-N
XLogP1.18
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82524714
[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
CID 65165798
[2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine
CID 65173175
5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 166647748
[2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine
CID 65165629
3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 106934183
4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid
CID 65163089
3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521728
[1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine
CID 104721634
[4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine
CID 106494989
3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82466705
5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 80501981

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one (CID 107073173) is 3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one is Cc1ccc(CN)c(=O)n1CCC1CCCO1.
What is the InChIKey of 3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one?
The InChIKey is QYKWQAUSZKYKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-4-5-11(9-14)13(16)15(10)7-6-12-3-2-8-17-12/h4-5,12H,2-3,6-9,14H2,1H3.
What are the key properties of 3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one?
3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 107073173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).