methyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate

C16H18N2O2 — CID 154658937

IUPACmethyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate
SMILESCOC(=O)CCc1ccc(C)c(-c2ccnc(N)c2)c1
InChIInChI=1S/C16H18N2O2/c1-11-3-4-12(5-6-16(19)20-2)9-14(11)13-7-8-18-15(17)10-13/h3-4,7-10H,5-6H2,1-2H3,(H2,17,18)
InChIKeyGFRVIGFIFNCEEV-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.74
Rot. Bonds4

About methyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate

methyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate (PubChem CID 154658937) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate
PubChem CID154658937
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate
SMILESCOC(=O)CCc1ccc(C)c(-c2ccnc(N)c2)c1
InChIInChI=1S/C16H18N2O2/c1-11-3-4-12(5-6-16(19)20-2)9-14(11)13-7-8-18-15(17)10-13/h3-4,7-10H,5-6H2,1-2H3,(H2,17,18)
InChIKeyGFRVIGFIFNCEEV-UHFFFAOYSA-N
XLogP2.74
TPSA65.21 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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-hydroxy-4-methylphenyl)propanoate
CID 20742465
methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 170989297
methyl 3-(3,4-diaminophenyl)propanoate
CID 122514005
methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate
CID 70423773
methyl 3-(3-amino-4-bromophenyl)propanoate
CID 84709341
methyl 3-(4-amino-3-bromophenyl)propanoate
CID 15486660
methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate
CID 53465785
methyl 3-(1,3-benzothiazol-5-yl)propanoate
CID 139991151
methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate
CID 67528095
methyl 3-pyridin-4-ylpropanoate
CID 3704115
(E)-3-[5-(3-methoxy-3-oxopropyl)-2-methylphenyl]prop-2-enoic acid
CID 134628684
methyl 3-[4-[5-amino-2-[4-(4-aminophenyl)phenyl]phenyl]phenyl]propanoate
CID 151862340

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate?
The IUPAC name of methyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate (CID 154658937) is methyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate.
What is the SMILES notation for methyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate?
The canonical SMILES for methyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate is COC(=O)CCc1ccc(C)c(-c2ccnc(N)c2)c1.
What is the InChIKey of methyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate?
The InChIKey is GFRVIGFIFNCEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-3-4-12(5-6-16(19)20-2)9-14(11)13-7-8-18-15(17)10-13/h3-4,7-10H,5-6H2,1-2H3,(H2,17,18).
What are the key properties of methyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate?
methyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate has a molecular weight of 270.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate is sourced from PubChem (CID 154658937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).