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

C16H18N2O2 — CID 60993352

IUPACmethyl 2-(3-methylanilino)-2-pyridin-2-ylpropanoate
SMILESCOC(=O)C(C)(Nc1cccc(C)c1)c1ccccn1
InChIInChI=1S/C16H18N2O2/c1-12-7-6-8-13(11-12)18-16(2,15(19)20-3)14-9-4-5-10-17-14/h4-11,18H,1-3H3
InChIKeyVYZXHLKKSIDCKL-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.89
Rot. Bonds4

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

methyl 2-(3-methylanilino)-2-pyridin-2-ylpropanoate (PubChem CID 60993352) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-(3-methylanilino)-2-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3-methylanilino)-2-pyridin-2-ylpropanoate
PubChem CID60993352
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 2-(3-methylanilino)-2-pyridin-2-ylpropanoate
SMILESCOC(=O)C(C)(Nc1cccc(C)c1)c1ccccn1
InChIInChI=1S/C16H18N2O2/c1-12-7-6-8-13(11-12)18-16(2,15(19)20-3)14-9-4-5-10-17-14/h4-11,18H,1-3H3
InChIKeyVYZXHLKKSIDCKL-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-(3-methylanilino)-2-pyridin-4-ylpropanoate
CID 60994077
methyl (2R)-2-(methylamino)-2-pyridin-2-ylpropanoate
CID 93309846
methyl 2-(4-bromophenyl)-2-(3-methylanilino)propanoate
CID 60994076
methyl 2-(4-chlorophenyl)-2-(3-methylanilino)propanoate
CID 60993351
methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate
CID 62535893
2-[2-(3-methylphenyl)propan-2-yl]pyridine
CID 130252856
methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate
CID 60994642
2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid
CID 60994633
methyl 2-(3-chloroanilino)-2-phenylpropanoate
CID 60991426
methyl 2-methyl-2-(3-methylanilino)octanoate
CID 63524625
2-(3-methylanilino)-2-pyridin-3-ylpropanamide
CID 54891651
methyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate
CID 60990617

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methylanilino)-2-pyridin-2-ylpropanoate?
The IUPAC name of methyl 2-(3-methylanilino)-2-pyridin-2-ylpropanoate (CID 60993352) is methyl 2-(3-methylanilino)-2-pyridin-2-ylpropanoate.
What is the SMILES notation for methyl 2-(3-methylanilino)-2-pyridin-2-ylpropanoate?
The canonical SMILES for methyl 2-(3-methylanilino)-2-pyridin-2-ylpropanoate is COC(=O)C(C)(Nc1cccc(C)c1)c1ccccn1.
What is the InChIKey of methyl 2-(3-methylanilino)-2-pyridin-2-ylpropanoate?
The InChIKey is VYZXHLKKSIDCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-7-6-8-13(11-12)18-16(2,15(19)20-3)14-9-4-5-10-17-14/h4-11,18H,1-3H3.
What are the key properties of methyl 2-(3-methylanilino)-2-pyridin-2-ylpropanoate?
methyl 2-(3-methylanilino)-2-pyridin-2-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-2-ylpropanoate is sourced from PubChem (CID 60993352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).