ethyl 5-acetyl-2-imino-1-phenyl-4-[(E)-2-phenylethenyl]pyridine-3-carboxylate

C24H22N2O3 — CID 68662127

IUPACethyl 5-acetyl-2-imino-1-phenyl-4-[(E)-2-phenylethenyl]pyridine-3-carboxylate
SMILES[H]/N=c1\c(C(=O)OCC)c(/C=C/c2ccccc2)c(C(C)=O)cn1-c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-3-29-24(28)22-20(15-14-18-10-6-4-7-11-18)21(17(2)27)16-26(23(22)25)19-12-8-5-9-13-19/h4-16,25H,3H2,1-2H3/b15-14+,25-23+
InChIKeyJQVIKAWWYUCYTR-LIOFRPDSSA-N
MW386.45 g/mol
LogP4.51
Rot. Bonds6

About ethyl 5-acetyl-2-imino-1-phenyl-4-[(E)-2-phenylethenyl]pyridine-3-carboxylate

ethyl 5-acetyl-2-imino-1-phenyl-4-[(E)-2-phenylethenyl]pyridine-3-carboxylate (PubChem CID 68662127) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is ethyl 5-acetyl-2-imino-1-phenyl-4-[(E)-2-phenylethenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-imino-1-phenyl-4-[(E)-2-phenylethenyl]pyridine-3-carboxylate
PubChem CID68662127
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Nameethyl 5-acetyl-2-imino-1-phenyl-4-[(E)-2-phenylethenyl]pyridine-3-carboxylate
SMILES[H]/N=c1\c(C(=O)OCC)c(/C=C/c2ccccc2)c(C(C)=O)cn1-c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-3-29-24(28)22-20(15-14-18-10-6-4-7-11-18)21(17(2)27)16-26(23(22)25)19-12-8-5-9-13-19/h4-16,25H,3H2,1-2H3/b15-14+,25-23+
InChIKeyJQVIKAWWYUCYTR-LIOFRPDSSA-N
XLogP4.51
TPSA72.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Pyridinecarboxylic acid, 1,2,5,6-tetahydro-4-(phenylamino)-1-(2-phenylethyl)-, ethyl ester, monohydrochloride
CID 3076328
ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 3076329
Ethyl 6-oxo-1,2-diphenyl-pyrimidine-5-carboxylate
CID 331074
tert-butyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 134849513
Ethyl 1,6-dimethyl-4-(4-methylanilino)-2-phenyl-2-(trifluoromethyl)pyrimidine-5-carboxylate
CID 15273663
Ethyl 4-anilino-1,6-dimethyl-2-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylate
CID 15273664
ethyl (Z)-3-amino-2-(N,N'-diphenylcarbamimidoyl)but-2-enoate
CID 21721720
Ethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate
CID 15073235
ethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 23650507
Methyl 6-imino-1-phenyl-2,5-dihydropyridine-3-carboxylate
CID 53654536
Ethyl 6-imino-1-phenyl-2,5-dihydropyridine-3-carboxylate
CID 53767096
Ethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate
CID 68661920

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-imino-1-phenyl-4-[(E)-2-phenylethenyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-imino-1-phenyl-4-[(E)-2-phenylethenyl]pyridine-3-carboxylate (CID 68662127) is ethyl 5-acetyl-2-imino-1-phenyl-4-[(E)-2-phenylethenyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-imino-1-phenyl-4-[(E)-2-phenylethenyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-imino-1-phenyl-4-[(E)-2-phenylethenyl]pyridine-3-carboxylate is [H]/N=c1\c(C(=O)OCC)c(/C=C/c2ccccc2)c(C(C)=O)cn1-c1ccccc1.
What is the InChIKey of ethyl 5-acetyl-2-imino-1-phenyl-4-[(E)-2-phenylethenyl]pyridine-3-carboxylate?
The InChIKey is JQVIKAWWYUCYTR-LIOFRPDSSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-3-29-24(28)22-20(15-14-18-10-6-4-7-11-18)21(17(2)27)16-26(23(22)25)19-12-8-5-9-13-19/h4-16,25H,3H2,1-2H3/b15-14+,25-23+.
What are the key properties of ethyl 5-acetyl-2-imino-1-phenyl-4-[(E)-2-phenylethenyl]pyridine-3-carboxylate?
ethyl 5-acetyl-2-imino-1-phenyl-4-[(E)-2-phenylethenyl]pyridine-3-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-imino-1-phenyl-4-[(E)-2-phenylethenyl]pyridine-3-carboxylate is sourced from PubChem (CID 68662127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).