[2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate

C18H20N2O5 — CID 69111070

IUPAC[2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1c(OCCOC)cccc1Oc1ncc(N)cc1C
InChIInChI=1S/C18H20N2O5/c1-4-16(21)25-17-14(23-9-8-22-3)6-5-7-15(17)24-18-12(2)10-13(19)11-20-18/h4-7,10-11H,1,8-9,19H2,2-3H3
InChIKeyWHZFJJGXAZRFOY-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.88
Rot. Bonds8

About [2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate

[2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate (PubChem CID 69111070) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is [2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate
PubChem CID69111070
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name[2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1c(OCCOC)cccc1Oc1ncc(N)cc1C
InChIInChI=1S/C18H20N2O5/c1-4-16(21)25-17-14(23-9-8-22-3)6-5-7-15(17)24-18-12(2)10-13(19)11-20-18/h4-7,10-11H,1,8-9,19H2,2-3H3
InChIKeyWHZFJJGXAZRFOY-UHFFFAOYSA-N
XLogP2.88
TPSA92.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate
CID 69110775
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-6-(2-hydroxyethoxy)phenyl] prop-2-enoate;hydrate
CID 69110478
6-(2-bromophenoxy)-5-methylpyridin-3-amine
CID 62476241
2-(2,3-diaminophenoxy)ethyl prop-2-enoate
CID 141212699
2,3-bis(2-methoxyethoxy)benzamide
CID 175291641
2-(2,4-dimethylphenoxy)ethyl prop-2-enoate
CID 58160672
3-(2,3-dimethylphenoxy)propyl prop-2-enoate
CID 151952529
2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate
CID 70425725
4-(4-amino-2-methylphenoxy)butyl prop-2-enoate;aniline;benzene-1,4-diamine
CID 142183864
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate
CID 166044944
(2-methyl-6-propylphenyl) prop-2-enoate
CID 141217583

Frequently Asked Questions

What is the IUPAC name of [2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate?
The IUPAC name of [2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate (CID 69111070) is [2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate.
What is the SMILES notation for [2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate?
The canonical SMILES for [2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate is C=CC(=O)Oc1c(OCCOC)cccc1Oc1ncc(N)cc1C.
What is the InChIKey of [2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate?
The InChIKey is WHZFJJGXAZRFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-4-16(21)25-17-14(23-9-8-22-3)6-5-7-15(17)24-18-12(2)10-13(19)11-20-18/h4-7,10-11H,1,8-9,19H2,2-3H3.
What are the key properties of [2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate?
[2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate has a molecular weight of 344.37 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate is sourced from PubChem (CID 69111070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).