6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one

C19H26N2O — CID 82519945

IUPAC6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
SMILESCc1ccc(C)c(-c2ccc(CNCC(C)C)c(=O)n2C)c1
InChIInChI=1S/C19H26N2O/c1-13(2)11-20-12-16-8-9-18(21(5)19(16)22)17-10-14(3)6-7-15(17)4/h6-10,13,20H,11-12H2,1-5H3
InChIKeyKTMMPQINBHDYMO-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.41
Rot. Bonds5

About 6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one

6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one (PubChem CID 82519945) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
PubChem CID82519945
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
SMILESCc1ccc(C)c(-c2ccc(CNCC(C)C)c(=O)n2C)c1
InChIInChI=1S/C19H26N2O/c1-13(2)11-20-12-16-8-9-18(21(5)19(16)22)17-10-14(3)6-7-15(17)4/h6-10,13,20H,11-12H2,1-5H3
InChIKeyKTMMPQINBHDYMO-UHFFFAOYSA-N
XLogP3.41
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519825
6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one
CID 82519877
2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid
CID 82520331
1-(2-methoxyethyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82524808
1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82519817
6-(2,5-dimethylphenyl)-1-methyl-2-oxopyridine-3-carbothioamide
CID 82519941
1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527314
3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one
CID 82517476
6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one
CID 82523790
1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524193
2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82442625
(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 93033161

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one?
The IUPAC name of 6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one (CID 82519945) is 6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one.
What is the SMILES notation for 6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one?
The canonical SMILES for 6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one is Cc1ccc(C)c(-c2ccc(CNCC(C)C)c(=O)n2C)c1.
What is the InChIKey of 6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one?
The InChIKey is KTMMPQINBHDYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13(2)11-20-12-16-8-9-18(21(5)19(16)22)17-10-14(3)6-7-15(17)4/h6-10,13,20H,11-12H2,1-5H3.
What are the key properties of 6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one?
6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one has a molecular weight of 298.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one is sourced from PubChem (CID 82519945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).