1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone

C16H18N2O2 — CID 60650680

IUPAC1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
SMILESCOc1cccc(C(=O)CN(C)Cc2cccnc2)c1
InChIInChI=1S/C16H18N2O2/c1-18(11-13-5-4-8-17-10-13)12-16(19)14-6-3-7-15(9-14)20-2/h3-10H,11-12H2,1-2H3
InChIKeySSQRBMLMMVEHOI-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.40
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone

1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone (PubChem CID 60650680) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
PubChem CID60650680
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
SMILESCOc1cccc(C(=O)CN(C)Cc2cccnc2)c1
InChIInChI=1S/C16H18N2O2/c1-18(11-13-5-4-8-17-10-13)12-16(19)14-6-3-7-15(9-14)20-2/h3-10H,11-12H2,1-2H3
InChIKeySSQRBMLMMVEHOI-UHFFFAOYSA-N
XLogP2.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 2458864
4-[methyl(pyridin-3-ylmethyl)amino]-3-oxobutanenitrile
CID 117038514
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 125159047
2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78806852
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 42248306
1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79849561
1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796154
1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 11276228
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone (CID 60650680) is 1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone is COc1cccc(C(=O)CN(C)Cc2cccnc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
The InChIKey is SSQRBMLMMVEHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(11-13-5-4-8-17-10-13)12-16(19)14-6-3-7-15(9-14)20-2/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone has a molecular weight of 270.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone is sourced from PubChem (CID 60650680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).