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

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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).