3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one

C17H22N2O2 — CID 82189512

IUPAC3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
SMILESCC(C)COc1ccc(-c2ccc(CN)c(=O)n2C)cc1
InChIInChI=1S/C17H22N2O2/c1-12(2)11-21-15-7-4-13(5-8-15)16-9-6-14(10-18)17(20)19(16)3/h4-9,12H,10-11,18H2,1-3H3
InChIKeyHQYDEHFYISSFOK-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.55
Rot. Bonds5

About 3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one

3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one (PubChem CID 82189512) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
PubChem CID82189512
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
SMILESCC(C)COc1ccc(-c2ccc(CN)c(=O)n2C)cc1
InChIInChI=1S/C17H22N2O2/c1-12(2)11-21-15-7-4-13(5-8-15)16-9-6-14(10-18)17(20)19(16)3/h4-9,12H,10-11,18H2,1-3H3
InChIKeyHQYDEHFYISSFOK-UHFFFAOYSA-N
XLogP2.55
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189716
1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile
CID 82517751
6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82517956
2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517950
3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82518171
3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one
CID 82189529
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189293
1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde
CID 82517740
1-methyl-3-[4-(2-methylpropoxy)phenyl]-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110551306
3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one
CID 82517476
[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine
CID 95457106

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one (CID 82189512) is 3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one is CC(C)COc1ccc(-c2ccc(CN)c(=O)n2C)cc1.
What is the InChIKey of 3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one?
The InChIKey is HQYDEHFYISSFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)11-21-15-7-4-13(5-8-15)16-9-6-14(10-18)17(20)19(16)3/h4-9,12H,10-11,18H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one?
3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 82189512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).