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

C22H20N2O2 — CID 15652749

IUPACethyl 6-anilino-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(/C=C/c2ccccc2)c(Nc2ccccc2)n1
InChIInChI=1S/C22H20N2O2/c1-2-26-22(25)20-16-15-18(14-13-17-9-5-3-6-10-17)21(24-20)23-19-11-7-4-8-12-19/h3-16H,2H2,1H3,(H,23,24)/b14-13+
InChIKeyBNZAFTZTROYZAZ-BUHFOSPRSA-N
MW344.41 g/mol
LogP5.17
Rot. Bonds6

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

ethyl 6-anilino-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate (PubChem CID 15652749) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 6-anilino-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-anilino-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate
PubChem CID15652749
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Nameethyl 6-anilino-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(/C=C/c2ccccc2)c(Nc2ccccc2)n1
InChIInChI=1S/C22H20N2O2/c1-2-26-22(25)20-16-15-18(14-13-17-9-5-3-6-10-17)21(24-20)23-19-11-7-4-8-12-19/h3-16H,2H2,1H3,(H,23,24)/b14-13+
InChIKeyBNZAFTZTROYZAZ-BUHFOSPRSA-N
XLogP5.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Stk008107
CID 694929
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CID 970961
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CID 3342377
Methyl 2-({[(4,6-dimethyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 971446
Ethyl 4-{[3-(ethoxycarbonyl)phenyl]amino}quinazoline-2-carboxylate
CID 1192534
4-(4-Ethoxycarbonylanilino)-2-quinazolinecarboxylic acid ethyl ester
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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 3-[(6-phenylpyrimidin-4-yl)amino]benzoate
CID 16014858
6-(2-Phenylmethoxyanilino)pyridine-2-carboxylic acid
CID 25008273
Sodium 6-(2-phenylmethoxyanilino)pyridine-2-carboxylate
CID 44448985

Frequently Asked Questions

What is the IUPAC name of ethyl 6-anilino-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-anilino-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate (CID 15652749) is ethyl 6-anilino-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-anilino-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-anilino-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate is CCOC(=O)c1ccc(/C=C/c2ccccc2)c(Nc2ccccc2)n1.
What is the InChIKey of ethyl 6-anilino-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate?
The InChIKey is BNZAFTZTROYZAZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-2-26-22(25)20-16-15-18(14-13-17-9-5-3-6-10-17)21(24-20)23-19-11-7-4-8-12-19/h3-16H,2H2,1H3,(H,23,24)/b14-13+.
What are the key properties of ethyl 6-anilino-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate?
ethyl 6-anilino-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-anilino-5-[(E)-2-phenylethenyl]pyridine-2-carboxylate is sourced from PubChem (CID 15652749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).