methyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate

C16H18N2O3 — CID 82899565

IUPACmethyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)CCn1ccccc1=O
InChIInChI=1S/C16H18N2O3/c1-17(11-12-18-10-6-5-9-15(18)19)14-8-4-3-7-13(14)16(20)21-2/h3-10H,11-12H2,1-2H3
InChIKeyMBENYAPKXWKBLC-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.77
Rot. Bonds5

About methyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate

methyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate (PubChem CID 82899565) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate
PubChem CID82899565
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)CCn1ccccc1=O
InChIInChI=1S/C16H18N2O3/c1-17(11-12-18-10-6-5-9-15(18)19)14-8-4-3-7-13(14)16(20)21-2/h3-10H,11-12H2,1-2H3
InChIKeyMBENYAPKXWKBLC-UHFFFAOYSA-N
XLogP1.77
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-cyanoethyl(methyl)amino]benzoate
CID 60694305
1-[2-[2-(aminomethyl)-N-methylanilino]ethyl]pyridin-2-one
CID 82897830
methyl 2-[methyl(2-methylsulfonylethyl)amino]benzoate
CID 62027116
methyl 2-[methyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoate
CID 62626101
methyl 2-[methyl(2-oxopropyl)amino]benzoate
CID 117029506
methyl 2-[2-hydroxybutyl(methyl)amino]benzoate
CID 62028637
methyl 2-[methyl(prop-2-enyl)amino]benzoate
CID 60695038
3-amino-4-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoic acid
CID 82898997
3-(2-methoxycarbonyl-N-methylanilino)-2,2-dimethylpropanoic acid
CID 79619521
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]benzoate
CID 114933153
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058
methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate
CID 62738094

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate?
The IUPAC name of methyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate (CID 82899565) is methyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate?
The canonical SMILES for methyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate is COC(=O)c1ccccc1N(C)CCn1ccccc1=O.
What is the InChIKey of methyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate?
The InChIKey is MBENYAPKXWKBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-17(11-12-18-10-6-5-9-15(18)19)14-8-4-3-7-13(14)16(20)21-2/h3-10H,11-12H2,1-2H3.
What are the key properties of methyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate?
methyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate has a molecular weight of 286.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate is sourced from PubChem (CID 82899565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).