ethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate

C17H18N2O4 — CID 140599199

IUPACethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(Oc2ccc(N)cn2)c(OC)c1
InChIInChI=1S/C17H18N2O4/c1-3-22-17(20)9-5-12-4-7-14(15(10-12)21-2)23-16-8-6-13(18)11-19-16/h4-11H,3,18H2,1-2H3/b9-5+
InChIKeyDLFCRCIPZAYSQZ-WEVVVXLNSA-N
MW314.34 g/mol
LogP3.04
Rot. Bonds6

About ethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate

ethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate (PubChem CID 140599199) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is ethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate
PubChem CID140599199
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Nameethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(Oc2ccc(N)cn2)c(OC)c1
InChIInChI=1S/C17H18N2O4/c1-3-22-17(20)9-5-12-4-7-14(15(10-12)21-2)23-16-8-6-13(18)11-19-16/h4-11H,3,18H2,1-2H3/b9-5+
InChIKeyDLFCRCIPZAYSQZ-WEVVVXLNSA-N
XLogP3.04
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335
ethyl 3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]prop-2-enoate
CID 141450461
ethyl (E)-3-(6-amino-5-methoxy-3-pyridinyl)prop-2-enoate
CID 66961501
ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 92908749
ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate
CID 23242190
pentyl (E)-3-(4-methoxy-3-pentoxyphenyl)prop-2-enoate
CID 19363451
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
ethyl (E)-3-[4-(3-hydroxyhexoxy)-3-methoxyphenyl]prop-2-enoate
CID 11450118
ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate
CID 66907011
dodecyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 71347266
hexyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 142627715
nonyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 164675970

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate (CID 140599199) is ethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(Oc2ccc(N)cn2)c(OC)c1.
What is the InChIKey of ethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate?
The InChIKey is DLFCRCIPZAYSQZ-WEVVVXLNSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-22-17(20)9-5-12-4-7-14(15(10-12)21-2)23-16-8-6-13(18)11-19-16/h4-11H,3,18H2,1-2H3/b9-5+.
What are the key properties of ethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate?
ethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate has a molecular weight of 314.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate is sourced from PubChem (CID 140599199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).