2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C23H18N4O3 — CID 169394824

IUPAC2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1OCC=Cc1ccccc1
InChIInChI=1S/C23H18N4O3/c1-29-20-12-16(21-17(13-24)22(26)27-23(28)18(21)14-25)9-10-19(20)30-11-5-8-15-6-3-2-4-7-15/h2-10,12H,11H2,1H3,(H3,26,27,28)
InChIKeyPGMGUHHJAFRCGM-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.47
Rot. Bonds6

About 2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394824) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394824
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1OCC=Cc1ccccc1
InChIInChI=1S/C23H18N4O3/c1-29-20-12-16(21-17(13-24)22(26)27-23(28)18(21)14-25)9-10-19(20)30-11-5-8-15-6-3-2-4-7-15/h2-10,12H,11H2,1H3,(H3,26,27,28)
InChIKeyPGMGUHHJAFRCGM-UHFFFAOYSA-N
XLogP3.47
TPSA124.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(4-methoxy-3-phenylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395414
2-amino-4-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395911
2-amino-4-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395332
2-amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393833
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] acetate
CID 169393074
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] propanoate
CID 169394799
2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393173
2-amino-4-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395098
2-amino-4-[3-methoxy-4-(4-nitrophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394466
2-amino-4-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393867
2-amino-4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394299
2-amino-4-(3,4-dimethoxy-5-prop-2-enylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394165

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394824) is 2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is COc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1OCC=Cc1ccccc1.
What is the InChIKey of 2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is PGMGUHHJAFRCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-29-20-12-16(21-17(13-24)22(26)27-23(28)18(21)14-25)9-10-19(20)30-11-5-8-15-6-3-2-4-7-15/h2-10,12H,11H2,1H3,(H3,26,27,28).
What are the key properties of 2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 398.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).