ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate

C19H20N2O4 — CID 108755527

IUPACethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)/C=C/c2ccc(OCC)cc2)c1
InChIInChI=1S/C19H20N2O4/c1-3-24-16-8-5-14(6-9-16)7-10-18(22)21-17-13-15(11-12-20-17)19(23)25-4-2/h5-13H,3-4H2,1-2H3,(H,20,21,22)/b10-7+
InChIKeyRXVMCKYWGROHEY-JXMROGBWSA-N
MW340.38 g/mol
LogP3.31
Rot. Bonds7

About ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate

ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate (PubChem CID 108755527) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate
PubChem CID108755527
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Nameethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)/C=C/c2ccc(OCC)cc2)c1
InChIInChI=1S/C19H20N2O4/c1-3-24-16-8-5-14(6-9-16)7-10-18(22)21-17-13-15(11-12-20-17)19(23)25-4-2/h5-13H,3-4H2,1-2H3,(H,20,21,22)/b10-7+
InChIKeyRXVMCKYWGROHEY-JXMROGBWSA-N
XLogP3.31
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate
CID 108755506
methyl 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-4-methylbenzoate
CID 8920139
ethyl 3-[3-(4-butoxyphenyl)prop-2-enoylamino]benzoate
CID 4138200
ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate
CID 108781343
ethyl 4-[2-[2-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17227305
(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805674
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 3-[[(E)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoate
CID 39471203
ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate
CID 108731941
hexyl 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19173123
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate (CID 108755527) is ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC(=O)/C=C/c2ccc(OCC)cc2)c1.
What is the InChIKey of ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate?
The InChIKey is RXVMCKYWGROHEY-JXMROGBWSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-24-16-8-5-14(6-9-16)7-10-18(22)21-17-13-15(11-12-20-17)19(23)25-4-2/h5-13H,3-4H2,1-2H3,(H,20,21,22)/b10-7+.
What are the key properties of ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate?
ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 108755527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).