ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate

C24H22N2O5 — CID 44764877

IUPACethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Oc1cccc(NC(=O)/C=C\c2ccc(OC)cc2)c1
InChIInChI=1S/C24H22N2O5/c1-3-30-24(28)21-8-5-15-25-23(21)31-20-7-4-6-18(16-20)26-22(27)14-11-17-9-12-19(29-2)13-10-17/h4-16H,3H2,1-2H3,(H,26,27)/b14-11-
InChIKeyGIWAVGFWYOAFLI-KAMYIIQDSA-N
MW418.45 g/mol
LogP4.71
Rot. Bonds8

About ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate

ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate (PubChem CID 44764877) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate
PubChem CID44764877
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Nameethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Oc1cccc(NC(=O)/C=C\c2ccc(OC)cc2)c1
InChIInChI=1S/C24H22N2O5/c1-3-30-24(28)21-8-5-15-25-23(21)31-20-7-4-6-18(16-20)26-22(27)14-11-17-9-12-19(29-2)13-10-17/h4-16H,3H2,1-2H3,(H,26,27)/b14-11-
InChIKeyGIWAVGFWYOAFLI-KAMYIIQDSA-N
XLogP4.71
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 890217
ethyl 3-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate
CID 890216
ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate
CID 44764821
ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate
CID 54074518
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791655
(E)-3-(4-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 886765
ethyl 3-[[(E)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoate
CID 39471203
ethyl 3-[3-(4-butoxyphenyl)prop-2-enoylamino]benzoate
CID 4138200
ethyl 2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
CID 54292965
(E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 6146604
(E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide
CID 166198814

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate (CID 44764877) is ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate is CCOC(=O)c1cccnc1Oc1cccc(NC(=O)/C=C\c2ccc(OC)cc2)c1.
What is the InChIKey of ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate?
The InChIKey is GIWAVGFWYOAFLI-KAMYIIQDSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-3-30-24(28)21-8-5-15-25-23(21)31-20-7-4-6-18(16-20)26-22(27)14-11-17-9-12-19(29-2)13-10-17/h4-16H,3H2,1-2H3,(H,26,27)/b14-11-.
What are the key properties of ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate?
ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate has a molecular weight of 418.45 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 44764877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).