3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one

C14H16N2O2 — CID 82517371

IUPAC3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2ccc(CN)c(=O)[nH]2)cc1C
InChIInChI=1S/C14H16N2O2/c1-9-7-10(4-6-13(9)18-2)12-5-3-11(8-15)14(17)16-12/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyOBUKVNMDDNLSDA-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.82
Rot. Bonds3

About 3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one

3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one (PubChem CID 82517371) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
PubChem CID82517371
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2ccc(CN)c(=O)[nH]2)cc1C
InChIInChI=1S/C14H16N2O2/c1-9-7-10(4-6-13(9)18-2)12-5-3-11(8-15)14(17)16-12/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyOBUKVNMDDNLSDA-UHFFFAOYSA-N
XLogP1.82
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517389
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
3-(chloromethyl)-6-(3,4-dimethylphenyl)-1H-pyridin-2-one
CID 82520164
3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one
CID 82519382
[6-(4-methoxy-3-methylphenyl)-2-methyl-3-pyridinyl]methanamine
CID 82453407
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one
CID 82520167
6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one
CID 82517620
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid
CID 70067324
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876636
1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine
CID 116828251
4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione
CID 23464758

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one (CID 82517371) is 3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one is COc1ccc(-c2ccc(CN)c(=O)[nH]2)cc1C.
What is the InChIKey of 3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one?
The InChIKey is OBUKVNMDDNLSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-7-10(4-6-13(9)18-2)12-5-3-11(8-15)14(17)16-12/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one?
3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 82517371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).