methyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate

C17H17NO3 — CID 98477716

IUPACmethyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate
SMILESCCOc1ccc(/C=C(\C(=O)OC)c2ccncc2)cc1
InChIInChI=1S/C17H17NO3/c1-3-21-15-6-4-13(5-7-15)12-16(17(19)20-2)14-8-10-18-11-9-14/h4-12H,3H2,1-2H3/b16-12-
InChIKeyFPZAGBRQEJBXBU-VBKFSLOCSA-N
MW283.33 g/mol
LogP3.19
Rot. Bonds5

About methyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate

methyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate (PubChem CID 98477716) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate
PubChem CID98477716
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate
SMILESCCOc1ccc(/C=C(\C(=O)OC)c2ccncc2)cc1
InChIInChI=1S/C17H17NO3/c1-3-21-15-6-4-13(5-7-15)12-16(17(19)20-2)14-8-10-18-11-9-14/h4-12H,3H2,1-2H3/b16-12-
InChIKeyFPZAGBRQEJBXBU-VBKFSLOCSA-N
XLogP3.19
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
(E)-3-(4-ethoxyphenyl)-2-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108771112
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
CID 71746947
methyl 2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 3512526
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
(Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid
CID 83956050
dimethyl 2-(pyridin-4-ylmethylidene)propanedioate
CID 12057009
3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid
CID 54032507
methyl 3-[4-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-2-phenylprop-2-enoate
CID 68773263

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate?
The IUPAC name of methyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate (CID 98477716) is methyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate?
The canonical SMILES for methyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate is CCOc1ccc(/C=C(\C(=O)OC)c2ccncc2)cc1.
What is the InChIKey of methyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate?
The InChIKey is FPZAGBRQEJBXBU-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-21-15-6-4-13(5-7-15)12-16(17(19)20-2)14-8-10-18-11-9-14/h4-12H,3H2,1-2H3/b16-12-.
What are the key properties of methyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate?
methyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate has a molecular weight of 283.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate is sourced from PubChem (CID 98477716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).