dimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate

C29H23N3O6 — CID 168641364

IUPACdimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cc3oc4ccccc4c3cc2OC)C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C29H23N3O6/c1-35-23-13-18-17-11-7-8-12-21(17)38-22(18)14-20(23)32-26(29(34)37-3)25(28(33)36-2)24(19(15-30)27(32)31)16-9-5-4-6-10-16/h4-14,24H,31H2,1-3H3
InChIKeyDONHUVGFYRHURU-UHFFFAOYSA-N
MW509.52 g/mol
LogP4.49
Rot. Bonds5

About dimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate

dimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate (PubChem CID 168641364) has the molecular formula C29H23N3O6 and a molecular weight of 509.52 g/mol. Its IUPAC name is dimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
PubChem CID168641364
Molecular FormulaC29H23N3O6
Molecular Weight509.52 g/mol
Exact Mass509.16
IUPAC Namedimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cc3oc4ccccc4c3cc2OC)C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C29H23N3O6/c1-35-23-13-18-17-11-7-8-12-21(17)38-22(18)14-20(23)32-26(29(34)37-3)25(28(33)36-2)24(19(15-30)27(32)31)16-9-5-4-6-10-16/h4-14,24H,31H2,1-3H3
InChIKeyDONHUVGFYRHURU-UHFFFAOYSA-N
XLogP4.49
TPSA128.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze dimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

dimethyl 6-amino-5-cyano-1-(2-methoxy-5-methyl-4-phenylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641356
dimethyl 6-amino-1-(2-carbamoyl-4,5-dimethoxyphenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644297
dimethyl 6-amino-5-cyano-1-(2,4-difluoro-5-methoxyphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168643444
dimethyl 6-amino-5-cyano-1-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168643859
dimethyl 6-amino-5-cyano-1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168642013
dimethyl 6-amino-5-cyano-1-[2-(2-methoxyanilino)-5-methoxycarbonylphenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644608
dimethyl 6-amino-5-cyano-1-(2-ethylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168643443
dimethyl 6-amino-5-cyano-1-(3-fluoro-4-methoxyphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645690
dimethyl 6-amino-5-cyano-1-(4-methoxy-2-methoxycarbonylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641452
dimethyl 6-amino-5-cyano-1-(3-hydroxy-4-methoxyphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645708
dimethyl 1-[2-(1-adamantyl)-4,5-dimethoxyphenyl]-6-amino-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644059
dimethyl 6-amino-5-cyano-4-phenyl-1-(2,3,5,6-tetrafluorophenyl)-4H-pyridine-2,3-dicarboxylate
CID 168641281

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate (CID 168641364) is dimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2cc3oc4ccccc4c3cc2OC)C(N)=C(C#N)C1c1ccccc1.
What is the InChIKey of dimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The InChIKey is DONHUVGFYRHURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O6/c1-35-23-13-18-17-11-7-8-12-21(17)38-22(18)14-20(23)32-26(29(34)37-3)25(28(33)36-2)24(19(15-30)27(32)31)16-9-5-4-6-10-16/h4-14,24H,31H2,1-3H3.
What are the key properties of dimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate?
dimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate has a molecular weight of 509.52 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-amino-5-cyano-1-(2-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate is sourced from PubChem (CID 168641364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).