ethyl 6-(4-methylanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate

C23H22N2O2 — CID 15652750

IUPACethyl 6-(4-methylanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(/C=C/c2ccccc2)c(Nc2ccc(C)cc2)n1
InChIInChI=1S/C23H22N2O2/c1-3-27-23(26)21-16-13-19(12-11-18-7-5-4-6-8-18)22(25-21)24-20-14-9-17(2)10-15-20/h4-16H,3H2,1-2H3,(H,24,25)/b12-11+
InChIKeyPJVHYCOCEQWRAJ-VAWYXSNFSA-N
MW358.44 g/mol
LogP5.48
Rot. Bonds6

About ethyl 6-(4-methylanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate

ethyl 6-(4-methylanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate (PubChem CID 15652750) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 6-(4-methylanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methylanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate
PubChem CID15652750
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Nameethyl 6-(4-methylanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(/C=C/c2ccccc2)c(Nc2ccc(C)cc2)n1
InChIInChI=1S/C23H22N2O2/c1-3-27-23(26)21-16-13-19(12-11-18-7-5-4-6-8-18)22(25-21)24-20-14-9-17(2)10-15-20/h4-16H,3H2,1-2H3,(H,24,25)/b12-11+
InChIKeyPJVHYCOCEQWRAJ-VAWYXSNFSA-N
XLogP5.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Stk008107
CID 694929
Ethyl 4-{[(4,6-dimethylpyridin-2-yl)carbamothioyl]amino}benzoate
CID 970961
Ethyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate
CID 3342377
Ethyl 4-{[3-(ethoxycarbonyl)phenyl]amino}quinazoline-2-carboxylate
CID 1192534
4-(4-Ethoxycarbonylanilino)-2-quinazolinecarboxylic acid ethyl ester
CID 1192535
Ethyl 4-{[4-(methoxycarbonyl)phenyl]amino}quinazoline-2-carboxylate
CID 1192536
Diethyl 4,4'-[(6-methylpyrimidine-2,4-diyl)diimino]dibenzoate
CID 1858265
Ethyl 4-[(6-methylpyridin-2-yl)carbamoylamino]benzoate
CID 6469443
Ethyl 4-[[6-(4-ethoxycarbonylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 24070578
6-(2-Phenylmethoxyanilino)pyridine-2-carboxylic acid
CID 25008273
Sodium 6-(2-phenylmethoxyanilino)pyridine-2-carboxylate
CID 44448985
Ethyl 4-({[(4,6-dimethyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 6469761

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methylanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(4-methylanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate (CID 15652750) is ethyl 6-(4-methylanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-methylanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(4-methylanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate is CCOC(=O)c1ccc(/C=C/c2ccccc2)c(Nc2ccc(C)cc2)n1.
What is the InChIKey of ethyl 6-(4-methylanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate?
The InChIKey is PJVHYCOCEQWRAJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-3-27-23(26)21-16-13-19(12-11-18-7-5-4-6-8-18)22(25-21)24-20-14-9-17(2)10-15-20/h4-16H,3H2,1-2H3,(H,24,25)/b12-11+.
What are the key properties of ethyl 6-(4-methylanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate?
ethyl 6-(4-methylanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methylanilino)-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate is sourced from PubChem (CID 15652750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).