3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one

C17H22N2O3 — CID 82189529

IUPAC3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one
SMILESCCOc1ccc(OCC)c(-c2ccc(CN)c(=O)n2C)c1
InChIInChI=1S/C17H22N2O3/c1-4-21-13-7-9-16(22-5-2)14(10-13)15-8-6-12(11-18)17(20)19(15)3/h6-10H,4-5,11,18H2,1-3H3
InChIKeyXTWAWNLQIDMDSQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.31
Rot. Bonds6

About 3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one

3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one (PubChem CID 82189529) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one
PubChem CID82189529
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one
SMILESCCOc1ccc(OCC)c(-c2ccc(CN)c(=O)n2C)c1
InChIInChI=1S/C17H22N2O3/c1-4-21-13-7-9-16(22-5-2)14(10-13)15-8-6-12(11-18)17(20)19(15)3/h6-10H,4-5,11,18H2,1-3H3
InChIKeyXTWAWNLQIDMDSQ-UHFFFAOYSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
CID 82517951
3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189512
3-(aminomethyl)-6-(3-methoxyphenyl)-1-methylpyridin-2-one
CID 82189410
2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517950
1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen
CID 70564094
6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82517956
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
6-(2-ethoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 82518873
3-(chloromethyl)-1-methyl-6-(2-propoxyphenyl)pyridin-2-one
CID 82518755
3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one
CID 82189721
1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
[2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine
CID 172653787

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one (CID 82189529) is 3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one is CCOc1ccc(OCC)c(-c2ccc(CN)c(=O)n2C)c1.
What is the InChIKey of 3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one?
The InChIKey is XTWAWNLQIDMDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-21-13-7-9-16(22-5-2)14(10-13)15-8-6-12(11-18)17(20)19(15)3/h6-10H,4-5,11,18H2,1-3H3.
What are the key properties of 3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one?
3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one has a molecular weight of 302.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(2,5-diethoxyphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 82189529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).