methyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate

C16H18N2O2 — CID 102878528

IUPACmethyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)Cc1cncc(C)c1
InChIInChI=1S/C16H18N2O2/c1-12-8-13(10-17-9-12)11-18(2)15-7-5-4-6-14(15)16(19)20-3/h4-10H,11H2,1-3H3
InChIKeyGLZRYQBWOLTKJZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.81
Rot. Bonds4

About methyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate

methyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate (PubChem CID 102878528) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate
PubChem CID102878528
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)Cc1cncc(C)c1
InChIInChI=1S/C16H18N2O2/c1-12-8-13(10-17-9-12)11-18(2)15-7-5-4-6-14(15)16(19)20-3/h4-10H,11H2,1-3H3
InChIKeyGLZRYQBWOLTKJZ-UHFFFAOYSA-N
XLogP2.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzenecarbothioamide
CID 102881207
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
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methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate
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methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate
CID 60694372
methyl 2-[[2-(aminomethyl)-4-pyridinyl]methyl-methylamino]benzoate
CID 63888273
methyl 2-[(4-chloro-3-fluorophenyl)methyl-methylamino]benzoate
CID 107885982
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]benzoate
CID 114933153
methyl 2-[methyl(2-oxopropyl)amino]benzoate
CID 117029506
methyl 2-amino-3-[methyl-[(4-methylphenyl)methyl]amino]benzoate
CID 115544640
methyl 2-[(4-bromothiophen-2-yl)methyl-methylamino]benzoate
CID 62026548
methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate
CID 62738094
methyl 2-[methyl(2-methylsulfonylethyl)amino]benzoate
CID 62027116

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate?
The IUPAC name of methyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate (CID 102878528) is methyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate.
What is the SMILES notation for methyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate?
The canonical SMILES for methyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate is COC(=O)c1ccccc1N(C)Cc1cncc(C)c1.
What is the InChIKey of methyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate?
The InChIKey is GLZRYQBWOLTKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-8-13(10-17-9-12)11-18(2)15-7-5-4-6-14(15)16(19)20-3/h4-10H,11H2,1-3H3.
What are the key properties of methyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate?
methyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate has a molecular weight of 270.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate is sourced from PubChem (CID 102878528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).