1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone

C16H18N2O — CID 169124145

IUPAC1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone
SMILESCNc1ncc(-c2cccc(C)c2)c(C)c1C(C)=O
InChIInChI=1S/C16H18N2O/c1-10-6-5-7-13(8-10)14-9-18-16(17-4)15(11(14)2)12(3)19/h5-9H,1-4H3,(H,17,18)
InChIKeyYOUWMECPTKBDNR-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.61
Rot. Bonds3

About 1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone

1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone (PubChem CID 169124145) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone
PubChem CID169124145
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone
SMILESCNc1ncc(-c2cccc(C)c2)c(C)c1C(C)=O
InChIInChI=1S/C16H18N2O/c1-10-6-5-7-13(8-10)14-9-18-16(17-4)15(11(14)2)12(3)19/h5-9H,1-4H3,(H,17,18)
InChIKeyYOUWMECPTKBDNR-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide
CID 176694640
1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone
CID 175686721
methyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate
CID 67694601
N-methyl-2-(3-methylphenyl)aniline
CID 59454343
2,5-dimethyl-3-(3-methylphenyl)phenol
CID 101298780
2,5-dimethyl-3-(3-methylphenyl)aniline
CID 165494667
2-ethyl-N,5-dimethyl-6-(3-methylphenyl)pyrimidin-4-amine
CID 80975057
4-methyl-5-(3-methylphenyl)pyridin-2-amine
CID 79730061
methyl 5-(3-methylphenyl)pyrimidine-2-carboxylate
CID 142526825
1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone
CID 20821442
3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide
CID 10331970
1-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 82282350

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone (CID 169124145) is 1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone is CNc1ncc(-c2cccc(C)c2)c(C)c1C(C)=O.
What is the InChIKey of 1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone?
The InChIKey is YOUWMECPTKBDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-6-5-7-13(8-10)14-9-18-16(17-4)15(11(14)2)12(3)19/h5-9H,1-4H3,(H,17,18).
What are the key properties of 1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone?
1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone has a molecular weight of 254.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(methylamino)-5-(3-methylphenyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 169124145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).