(6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate

C16H18N2O2 — CID 79260623

IUPAC(6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate
SMILESCc1cccc(COC(=O)CCc2ccc(N)cc2)n1
InChIInChI=1S/C16H18N2O2/c1-12-3-2-4-15(18-12)11-20-16(19)10-7-13-5-8-14(17)9-6-13/h2-6,8-9H,7,10-11,17H2,1H3
InChIKeyPMZAJPVNVVDIBU-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.65
Rot. Bonds5

About (6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate

(6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate (PubChem CID 79260623) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate
PubChem CID79260623
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate
SMILESCc1cccc(COC(=O)CCc2ccc(N)cc2)n1
InChIInChI=1S/C16H18N2O2/c1-12-3-2-4-15(18-12)11-20-16(19)10-7-13-5-8-14(17)9-6-13/h2-6,8-9H,7,10-11,17H2,1H3
InChIKeyPMZAJPVNVVDIBU-UHFFFAOYSA-N
XLogP2.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate
CID 79263644
(6-methyl-2-pyridinyl)methyl 2-(2-aminophenoxy)acetate
CID 79261578
(2-ethoxy-2-oxoethyl) 3-(4-aminophenyl)propanoate
CID 61314877
(3,5-difluorophenyl)methyl 3-(4-aminophenyl)propanoate
CID 105407572
2-propoxyethyl 3-(4-aminophenyl)propanoate
CID 63687090
3-ethylsulfonylpropyl 3-(4-aminophenyl)propanoate
CID 65095377
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
[3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate
CID 61316212
pyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate
CID 135060944
2-(2-hydroxyethoxy)ethyl 3-(4-aminophenyl)propanoate
CID 61316404
methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate
CID 23143251
azane;benzyl 3-phenylpropanoate
CID 175136325

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate?
The IUPAC name of (6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate (CID 79260623) is (6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate.
What is the SMILES notation for (6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate?
The canonical SMILES for (6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate is Cc1cccc(COC(=O)CCc2ccc(N)cc2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate?
The InChIKey is PMZAJPVNVVDIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-3-2-4-15(18-12)11-20-16(19)10-7-13-5-8-14(17)9-6-13/h2-6,8-9H,7,10-11,17H2,1H3.
What are the key properties of (6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate?
(6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate has a molecular weight of 270.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate is sourced from PubChem (CID 79260623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).