methyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate

C16H18N2O3 — CID 60994852

IUPACmethyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate
SMILESCOC(=O)C(C)(Nc1ccccc1OC)c1cccnc1
InChIInChI=1S/C16H18N2O3/c1-16(15(19)21-3,12-7-6-10-17-11-12)18-13-8-4-5-9-14(13)20-2/h4-11,18H,1-3H3
InChIKeySTLNSJMZUUCMMW-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.59
Rot. Bonds5

About methyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate

methyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate (PubChem CID 60994852) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate
PubChem CID60994852
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate
SMILESCOC(=O)C(C)(Nc1ccccc1OC)c1cccnc1
InChIInChI=1S/C16H18N2O3/c1-16(15(19)21-3,12-7-6-10-17-11-12)18-13-8-4-5-9-14(13)20-2/h4-11,18H,1-3H3
InChIKeySTLNSJMZUUCMMW-UHFFFAOYSA-N
XLogP2.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-bromo-2-pyridin-3-ylpropanoate
CID 22902516
methyl 2-(prop-2-ynylamino)-2-pyridin-3-ylpropanoate
CID 62365284
methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate
CID 60992065
methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate
CID 60994884
2-(2-methoxyanilino)-2-(4-methylphenyl)propanamide
CID 60991724
methyl 2-(2-bromoanilino)-2-(4-fluorophenyl)propanoate
CID 60994120
methyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890267
2-(2-methoxyanilino)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 717684
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963576
2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide
CID 96533957
2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid
CID 60991839
3-(2-methoxyanilino)-1-pyridin-3-ylbut-2-en-1-one
CID 23988711

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate?
The IUPAC name of methyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate (CID 60994852) is methyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate.
What is the SMILES notation for methyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate?
The canonical SMILES for methyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate is COC(=O)C(C)(Nc1ccccc1OC)c1cccnc1.
What is the InChIKey of methyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate?
The InChIKey is STLNSJMZUUCMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(15(19)21-3,12-7-6-10-17-11-12)18-13-8-4-5-9-14(13)20-2/h4-11,18H,1-3H3.
What are the key properties of methyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate?
methyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate has a molecular weight of 286.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate is sourced from PubChem (CID 60994852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).