diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate

C26H27N3O6 — CID 137332333

IUPACdiethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)N(c2ccc(OC)cc2)C(N)=C(C#N)C1c1ccc(OC)cc1
InChIInChI=1S/C26H27N3O6/c1-5-34-25(30)22-21(16-7-11-18(32-3)12-8-16)20(15-27)24(28)29(23(22)26(31)35-6-2)17-9-13-19(33-4)14-10-17/h7-14,21H,5-6,28H2,1-4H3
InChIKeyCSOLSINRAHRDTH-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.38
Rot. Bonds8

About diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate

diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate (PubChem CID 137332333) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate
PubChem CID137332333
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Namediethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)N(c2ccc(OC)cc2)C(N)=C(C#N)C1c1ccc(OC)cc1
InChIInChI=1S/C26H27N3O6/c1-5-34-25(30)22-21(16-7-11-18(32-3)12-8-16)20(15-27)24(28)29(23(22)26(31)35-6-2)17-9-13-19(33-4)14-10-17/h7-14,21H,5-6,28H2,1-4H3
InChIKeyCSOLSINRAHRDTH-UHFFFAOYSA-N
XLogP3.38
TPSA124.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

diethyl 6-amino-4-(4-bromophenyl)-5-cyano-1-(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate
CID 137332329
diethyl 6-amino-1-(4-bromophenyl)-4-(2-chloro-7-methoxyquinolin-3-yl)-5-cyano-4H-pyridine-2,3-dicarboxylate
CID 137332342
diethyl 6-amino-1-[4-[2-amino-4-(2-bromophenyl)-3-cyano-5,6-bis(ethoxycarbonyl)-4H-pyridin-1-yl]phenyl]-4-(2-bromophenyl)-5-cyano-4H-pyridine-2,3-dicarboxylate
CID 139219448
ethyl (2S,7S)-5-amino-6-cyano-2-(2-methoxy-2-oxoethyl)-7-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 2720439
dimethyl 6-amino-5-cyano-1-[4-(3-methoxyphenoxy)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641735
dimethyl 6-amino-5-cyano-4-phenyl-1-[4-(4-phenylphenyl)phenyl]-4H-pyridine-2,3-dicarboxylate
CID 168641655
2-[4-[2-amino-3-cyano-5,6-bis(methoxycarbonyl)-4-phenyl-4H-pyridin-1-yl]phenyl]acetic acid
CID 168645795
ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
CID 17273371
ethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate
CID 23769877
dimethyl 6-amino-1-(4-carbonochloridoylphenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644691
ethyl 6-amino-5-cyano-4-[4-(4-methoxybenzoyl)oxyphenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169391798
[4-[4-[2-amino-3-cyano-5,6-bis(methoxycarbonyl)-4-phenyl-4H-pyridin-1-yl]phenoxy]phenyl]boronic acid
CID 168642509

Frequently Asked Questions

What is the IUPAC name of diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate?
The IUPAC name of diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate (CID 137332333) is diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate.
What is the SMILES notation for diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate?
The canonical SMILES for diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate is CCOC(=O)C1=C(C(=O)OCC)N(c2ccc(OC)cc2)C(N)=C(C#N)C1c1ccc(OC)cc1.
What is the InChIKey of diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate?
The InChIKey is CSOLSINRAHRDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-5-34-25(30)22-21(16-7-11-18(32-3)12-8-16)20(15-27)24(28)29(23(22)26(31)35-6-2)17-9-13-19(33-4)14-10-17/h7-14,21H,5-6,28H2,1-4H3.
What are the key properties of diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate?
diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate has a molecular weight of 477.52 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate is sourced from PubChem (CID 137332333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).