3-amino-5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methylpyridin-2-one

C17H23N3O3 — CID 139370926

IUPAC3-amino-5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methylpyridin-2-one
SMILESCOc1cc(-c2cc(N)c(=O)n(C)c2)cc(OC)c1CN(C)C
InChIInChI=1S/C17H23N3O3/c1-19(2)10-13-15(22-4)7-11(8-16(13)23-5)12-6-14(18)17(21)20(3)9-12/h6-9H,10,18H2,1-5H3
InChIKeyNGVHWAZQIJCGNA-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.71
Rot. Bonds5

About 3-amino-5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methylpyridin-2-one

3-amino-5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methylpyridin-2-one (PubChem CID 139370926) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-amino-5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-amino-5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methylpyridin-2-one
PubChem CID139370926
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-amino-5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methylpyridin-2-one
SMILESCOc1cc(-c2cc(N)c(=O)n(C)c2)cc(OC)c1CN(C)C
InChIInChI=1S/C17H23N3O3/c1-19(2)10-13-15(22-4)7-11(8-16(13)23-5)12-6-14(18)17(21)20(3)9-12/h6-9H,10,18H2,1-5H3
InChIKeyNGVHWAZQIJCGNA-UHFFFAOYSA-N
XLogP1.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methylpyridin-2-one?
The IUPAC name of 3-amino-5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methylpyridin-2-one (CID 139370926) is 3-amino-5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-amino-5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-amino-5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methylpyridin-2-one is COc1cc(-c2cc(N)c(=O)n(C)c2)cc(OC)c1CN(C)C.
What is the InChIKey of 3-amino-5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methylpyridin-2-one?
The InChIKey is NGVHWAZQIJCGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-19(2)10-13-15(22-4)7-11(8-16(13)23-5)12-6-14(18)17(21)20(3)9-12/h6-9H,10,18H2,1-5H3.
What are the key properties of 3-amino-5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methylpyridin-2-one?
3-amino-5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methylpyridin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 139370926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).