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

C26H23N5O6 — CID 168642013

IUPACdimethyl 6-amino-5-cyano-1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cc(-c3nnc(C)o3)ccc2OC)C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C26H23N5O6/c1-14-29-30-24(37-14)16-10-11-19(34-2)18(12-16)31-22(26(33)36-4)21(25(32)35-3)20(17(13-27)23(31)28)15-8-6-5-7-9-15/h5-12,20H,28H2,1-4H3
InChIKeyVSGUKSOSYDYRKR-UHFFFAOYSA-N
MW501.50 g/mol
LogP2.95
Rot. Bonds6

About 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

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 (PubChem CID 168642013) has the molecular formula C26H23N5O6 and a molecular weight of 501.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedimethyl 6-amino-5-cyano-1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
PubChem CID168642013
Molecular FormulaC26H23N5O6
Molecular Weight501.50 g/mol
Exact Mass501.16
IUPAC Namedimethyl 6-amino-5-cyano-1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cc(-c3nnc(C)o3)ccc2OC)C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C26H23N5O6/c1-14-29-30-24(37-14)16-10-11-19(34-2)18(12-16)31-22(26(33)36-4)21(25(32)35-3)20(17(13-27)23(31)28)15-8-6-5-7-9-15/h5-12,20H,28H2,1-4H3
InChIKeyVSGUKSOSYDYRKR-UHFFFAOYSA-N
XLogP2.95
TPSA153.80 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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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-5-cyano-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644824
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-methoxydibenzofuran-3-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641364
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-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168643282
dimethyl 6-amino-5-cyano-1-(5-methoxycarbonyl-2-methyl-1,3-benzoxazol-7-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645630
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-(3-hydroxy-4-methoxyphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645708
dimethyl 6-amino-5-cyano-1-(3-fluoro-4-methoxyphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645690
dimethyl 6-amino-5-cyano-4-phenyl-1-[4-(4-phenylphenyl)phenyl]-4H-pyridine-2,3-dicarboxylate
CID 168641655
dimethyl 6-amino-5-cyano-1-(5-fluoro-2-propan-2-yloxyphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168643567

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)C1=C(C(=O)OC)N(c2cc(-c3nnc(C)o3)ccc2OC)C(N)=C(C#N)C1c1ccccc1.
What is the InChIKey of 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?
The InChIKey is VSGUKSOSYDYRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O6/c1-14-29-30-24(37-14)16-10-11-19(34-2)18(12-16)31-22(26(33)36-4)21(25(32)35-3)20(17(13-27)23(31)28)15-8-6-5-7-9-15/h5-12,20H,28H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 501.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168642013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).