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

C21H16N4O3 — CID 169394393

IUPAC2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1cccc(COc2cccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)c2)c1
InChIInChI=1S/C21H16N4O3/c1-27-15-6-2-4-13(8-15)12-28-16-7-3-5-14(9-16)19-17(10-22)20(24)25-21(26)18(19)11-23/h2-9H,12H2,1H3,(H3,24,25,26)
InChIKeyMXGGVKFNWVBTPT-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.96
Rot. Bonds5

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

2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394393) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394393
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1cccc(COc2cccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)c2)c1
InChIInChI=1S/C21H16N4O3/c1-27-15-6-2-4-13(8-15)12-28-16-7-3-5-14(9-16)19-17(10-22)20(24)25-21(26)18(19)11-23/h2-9H,12H2,1H3,(H3,24,25,26)
InChIKeyMXGGVKFNWVBTPT-UHFFFAOYSA-N
XLogP2.96
TPSA124.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[2-(3-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393888
2-amino-4-[3-(4-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393882
2-amino-4-[3-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393488
2-amino-4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393626
2-amino-4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395402
2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393056
2-amino-4-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395911
ethyl 3-[3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)phenoxy]propanoate
CID 169394983
methyl 4-[3-[3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)phenoxy]propoxy]benzoate
CID 169395668
2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393784
2-amino-4-(2-methyl-4-phenylmethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393316
2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394366

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394393) is 2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is COc1cccc(COc2cccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)c2)c1.
What is the InChIKey of 2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is MXGGVKFNWVBTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-27-15-6-2-4-13(8-15)12-28-16-7-3-5-14(9-16)19-17(10-22)20(24)25-21(26)18(19)11-23/h2-9H,12H2,1H3,(H3,24,25,26).
What are the key properties of 2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 372.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).