1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone

C16H18N2O2 — CID 10400941

IUPAC1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone
SMILESCOc1cccc(Nc2cc(C)nc(C)c2C(C)=O)c1
InChIInChI=1S/C16H18N2O2/c1-10-8-15(16(12(3)19)11(2)17-10)18-13-6-5-7-14(9-13)20-4/h5-9H,1-4H3,(H,17,18)
InChIKeyQIUKNARMIJUXHE-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.65
Rot. Bonds4

About 1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone

1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone (PubChem CID 10400941) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone
PubChem CID10400941
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone
SMILESCOc1cccc(Nc2cc(C)nc(C)c2C(C)=O)c1
InChIInChI=1S/C16H18N2O2/c1-10-8-15(16(12(3)19)11(2)17-10)18-13-6-5-7-14(9-13)20-4/h5-9H,1-4H3,(H,17,18)
InChIKeyQIUKNARMIJUXHE-UHFFFAOYSA-N
XLogP3.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-Methoxyphenyl)amino]-2-Phenyl-7,8-Dihydro-1,6-Naphthyridin-5(6h)-One
CID 53493858
N-(3-methoxyphenyl)nicotinamide
CID 668900
1-[4-Acetyl-1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 767208
4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53494122
4-(3-methoxyanilino)-2-(2-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53494123
4-(3-methoxyanilino)-7-methyl-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53494402
2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53494536
4-(3-methoxyanilino)-8-methyl-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53494799
Ethyl 4-(2-aminoanilino)-2,6-dimethylnicotinate
CID 766509
1-(5-{[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl}-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
CID 3241918
4-(3-Methoxyanilino)-6-phenylpyridine-3-carboxamide
CID 137637205
2-(3-Methoxy-phenylamino)-4,6-dimethyl-nicotinamide
CID 847091

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone?
The IUPAC name of 1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone (CID 10400941) is 1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone?
The canonical SMILES for 1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone is COc1cccc(Nc2cc(C)nc(C)c2C(C)=O)c1.
What is the InChIKey of 1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone?
The InChIKey is QIUKNARMIJUXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-8-15(16(12(3)19)11(2)17-10)18-13-6-5-7-14(9-13)20-4/h5-9H,1-4H3,(H,17,18).
What are the key properties of 1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone?
1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone has a molecular weight of 270.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone is sourced from PubChem (CID 10400941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).