ethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate

C27H22Cl2N2O2 — CID 11282954

IUPACethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)nc1Nc1ccc(C)cc1
InChIInChI=1S/C27H22Cl2N2O2/c1-3-33-27(32)25-21(19-11-14-22(28)23(29)15-19)16-24(18-7-5-4-6-8-18)31-26(25)30-20-12-9-17(2)10-13-20/h4-16H,3H2,1-2H3,(H,30,31)
InChIKeyGBIPGGWXECTGIU-UHFFFAOYSA-N
MW477.39 g/mol
LogP7.95
Rot. Bonds6

About ethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate

ethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate (PubChem CID 11282954) has the molecular formula C27H22Cl2N2O2 and a molecular weight of 477.39 g/mol. Its IUPAC name is ethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate
PubChem CID11282954
Molecular FormulaC27H22Cl2N2O2
Molecular Weight477.39 g/mol
Exact Mass476.11
IUPAC Nameethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)nc1Nc1ccc(C)cc1
InChIInChI=1S/C27H22Cl2N2O2/c1-3-33-27(32)25-21(19-11-14-22(28)23(29)15-19)16-24(18-7-5-4-6-8-18)31-26(25)30-20-12-9-17(2)10-13-20/h4-16H,3H2,1-2H3,(H,30,31)
InChIKeyGBIPGGWXECTGIU-UHFFFAOYSA-N
XLogP7.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.39
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-{2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-YL]acetamido}benzoate
CID 16024551
Ethyl 5-amino-4-(4-chlorophenyl)-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate
CID 44445179
Ethyl 4-(4-chlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate
CID 11475732
Ethyl 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyridine-3-carboxylate
CID 57391634
Ethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate
CID 57393375
Ethyl 4-(3,4-dichlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate
CID 57395092
Ethyl 2-anilino-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate
CID 57395093
Ethyl 4-(4-chlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate
CID 57395094
Ethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate
CID 57396864
Ethyl 2-(4-chloroanilino)-4-(3,4-dichlorophenyl)-6-phenylpyridine-3-carboxylate
CID 57398628
Ethyl 4-(3,4-dichlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate
CID 57400293
Ethyl 4-(4-chlorophenyl)-2-(4-methoxyanilino)-6-phenylpyridine-3-carboxylate
CID 57402083

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate (CID 11282954) is ethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)nc1Nc1ccc(C)cc1.
What is the InChIKey of ethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate?
The InChIKey is GBIPGGWXECTGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Cl2N2O2/c1-3-33-27(32)25-21(19-11-14-22(28)23(29)15-19)16-24(18-7-5-4-6-8-18)31-26(25)30-20-12-9-17(2)10-13-20/h4-16H,3H2,1-2H3,(H,30,31).
What are the key properties of ethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate?
ethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate has a molecular weight of 477.39 g/mol, XLogP of 7.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dichlorophenyl)-2-(4-methylanilino)-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 11282954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).