methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate

C16H18N2O2 — CID 60994077

IUPACmethyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate
SMILESCOC(=O)C(C)(Nc1cccc(C)c1)c1ccncc1
InChIInChI=1S/C16H18N2O2/c1-12-5-4-6-14(11-12)18-16(2,15(19)20-3)13-7-9-17-10-8-13/h4-11,18H,1-3H3
InChIKeySKCBVTSLYKWYQY-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.89
Rot. Bonds4

About methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate

methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate (PubChem CID 60994077) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate
PubChem CID60994077
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate
SMILESCOC(=O)C(C)(Nc1cccc(C)c1)c1ccncc1
InChIInChI=1S/C16H18N2O2/c1-12-5-4-6-14(11-12)18-16(2,15(19)20-3)13-7-9-17-10-8-13/h4-11,18H,1-3H3
InChIKeySKCBVTSLYKWYQY-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-bromophenyl)-2-(3-methylanilino)propanoate
CID 60994076
methyl 2-(4-chlorophenyl)-2-(3-methylanilino)propanoate
CID 60993351
methyl 2-(3-methylanilino)-2-pyridin-2-ylpropanoate
CID 60993352
methyl 2-(3-chloroanilino)-2-phenylpropanoate
CID 60991426
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)propanoate
CID 60993042
methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate
CID 60992065
2-(3-methylanilino)-2-pyridin-3-ylpropanamide
CID 54891651
methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate
CID 60994642
2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide
CID 54891507
methyl 2-(propylamino)-2-pyridin-4-ylpropanoate
CID 60795990
methyl 2-(4-methylanilino)-2-phenylpropanoate
CID 60990669
methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate
CID 62535893

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate?
The IUPAC name of methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate (CID 60994077) is methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate.
What is the SMILES notation for methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate?
The canonical SMILES for methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate is COC(=O)C(C)(Nc1cccc(C)c1)c1ccncc1.
What is the InChIKey of methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate?
The InChIKey is SKCBVTSLYKWYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-5-4-6-14(11-12)18-16(2,15(19)20-3)13-7-9-17-10-8-13/h4-11,18H,1-3H3.
What are the key properties of methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate?
methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate has a molecular weight of 270.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate is sourced from PubChem (CID 60994077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).