methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate

C29H27N3O5 — CID 53382834

IUPACmethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)C1c1cccc(OC)c1OC
InChIInChI=1S/C29H27N3O5/c1-34-25-14-8-13-22(27(25)35-2)26-23(16-30)28(31)32(17-24(26)29(33)36-3)20-11-7-12-21(15-20)37-18-19-9-5-4-6-10-19/h4-15,17,26H,18,31H2,1-3H3
InChIKeyWLXTWMYVUVATPI-UHFFFAOYSA-N
MW497.55 g/mol
LogP4.64
Rot. Bonds8

About methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate

methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate (PubChem CID 53382834) has the molecular formula C29H27N3O5 and a molecular weight of 497.55 g/mol. Its IUPAC name is methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate
PubChem CID53382834
Molecular FormulaC29H27N3O5
Molecular Weight497.55 g/mol
Exact Mass497.20
IUPAC Namemethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)C1c1cccc(OC)c1OC
InChIInChI=1S/C29H27N3O5/c1-34-25-14-8-13-22(27(25)35-2)26-23(16-30)28(31)32(17-24(26)29(33)36-3)20-11-7-12-21(15-20)37-18-19-9-5-4-6-10-19/h4-15,17,26H,18,31H2,1-3H3
InChIKeyWLXTWMYVUVATPI-UHFFFAOYSA-N
XLogP4.64
TPSA107.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate
CID 53382835
methyl 3-amino-4-cyano-1-(3-phenylmethoxyphenyl)pyrrole-2-carboxylate
CID 168545662
methyl 6-amino-5-cyano-4-(3-ethoxy-2-phenylmethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 4308090
methyl (4R)-6-amino-5-cyano-4-(3-ethoxy-2-phenylmethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 1036495
3-(2,3-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enenitrile
CID 69348718
dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate
CID 2897941
(4R)-6-amino-4-(2,3-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1401383
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117
dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2172343
[1-(3-phenylmethoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708647
methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
CID 22241445
dimethyl 6-amino-5-cyano-1-[3-(2-methylprop-2-enoxy)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168642138

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate (CID 53382834) is methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate is COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)C1c1cccc(OC)c1OC.
What is the InChIKey of methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate?
The InChIKey is WLXTWMYVUVATPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O5/c1-34-25-14-8-13-22(27(25)35-2)26-23(16-30)28(31)32(17-24(26)29(33)36-3)20-11-7-12-21(15-20)37-18-19-9-5-4-6-10-19/h4-15,17,26H,18,31H2,1-3H3.
What are the key properties of methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate?
methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate has a molecular weight of 497.55 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate is sourced from PubChem (CID 53382834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).