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

C17H14Cl2N2O3 — CID 108755506

IUPACethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H14Cl2N2O3/c1-2-24-17(23)12-7-8-20-15(9-12)21-16(22)6-4-11-3-5-13(18)10-14(11)19/h3-10H,2H2,1H3,(H,20,21,22)/b6-4+
InChIKeyPVYWPPUCDKXQRG-GQCTYLIASA-N
MW365.22 g/mol
LogP4.22
Rot. Bonds5

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

ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate (PubChem CID 108755506) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate
PubChem CID108755506
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Nameethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H14Cl2N2O3/c1-2-24-17(23)12-7-8-20-15(9-12)21-16(22)6-4-11-3-5-13(18)10-14(11)19/h3-10H,2H2,1H3,(H,20,21,22)/b6-4+
InChIKeyPVYWPPUCDKXQRG-GQCTYLIASA-N
XLogP4.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate
CID 108755527
ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate
CID 108755549
ethyl 2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]benzoate
CID 4152083
diethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propanedioate
CID 33239901
3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide
CID 897133
ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate
CID 108773602
ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 108731954
ethyl 2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 4619833
ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 6269187
N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 4209207
(E)-3-(2,4-dichlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 6053257
ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
CID 108755424

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate (CID 108755506) is ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate?
The InChIKey is PVYWPPUCDKXQRG-GQCTYLIASA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-2-24-17(23)12-7-8-20-15(9-12)21-16(22)6-4-11-3-5-13(18)10-14(11)19/h3-10H,2H2,1H3,(H,20,21,22)/b6-4+.
What are the key properties of ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate?
ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate has a molecular weight of 365.22 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 108755506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).