ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate

C17H20N2O2 — CID 66591311

IUPACethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2cc(NC)ccn2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-21-17(20)9-6-13-4-7-14(8-5-13)16-12-15(18-2)10-11-19-16/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H,18,19)
InChIKeyBECYFAAGRZJETE-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.29
Rot. Bonds6

About ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate

ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate (PubChem CID 66591311) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate
PubChem CID66591311
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2cc(NC)ccn2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-21-17(20)9-6-13-4-7-14(8-5-13)16-12-15(18-2)10-11-19-16/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H,18,19)
InChIKeyBECYFAAGRZJETE-UHFFFAOYSA-N
XLogP3.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate
CID 67182542
ethyl 3-[4-(methylaminomethyl)phenyl]propanoate
CID 164606778
ethyl 3-[4-(furan-2-yl)phenyl]propanoate
CID 168526212
ethyl 3-(4-ethylsulfonylphenyl)propanoate
CID 71283935
(2-ethoxy-2-oxoethyl) 3-(4-aminophenyl)propanoate
CID 61314877
amino 3-[4-(methylamino)phenyl]propanoate
CID 118518971
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate
CID 113367744
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
ethyl 8-[4-(3-ethoxy-3-oxopropyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 171697851
acetyl 3-[4-[4-[heptylcarbamoyl(methyl)amino]-2-pyridinyl]phenyl]propanoate
CID 91240901
ethyl 3-[4-(3-hydroxy-3-methylbutyl)phenyl]propanoate
CID 156698914

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate?
The IUPAC name of ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate (CID 66591311) is ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate is CCOC(=O)CCc1ccc(-c2cc(NC)ccn2)cc1.
What is the InChIKey of ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate?
The InChIKey is BECYFAAGRZJETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-21-17(20)9-6-13-4-7-14(8-5-13)16-12-15(18-2)10-11-19-16/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H,18,19).
What are the key properties of ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate?
ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate has a molecular weight of 284.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate is sourced from PubChem (CID 66591311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).