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

C20H14N4O3 — CID 169393402

IUPAC2-amino-4-[2-(4-methoxyphenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1ccc(Oc2ccccc2-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C20H14N4O3/c1-26-12-6-8-13(9-7-12)27-17-5-3-2-4-14(17)18-15(10-21)19(23)24-20(25)16(18)11-22/h2-9H,1H3,(H3,23,24,25)
InChIKeyKQFWAYGFHWZRQC-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.17
Rot. Bonds4

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

2-amino-4-[2-(4-methoxyphenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393402) has the molecular formula C20H14N4O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 2-amino-4-[2-(4-methoxyphenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[2-(4-methoxyphenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393402
Molecular FormulaC20H14N4O3
Molecular Weight358.36 g/mol
Exact Mass358.11
IUPAC Name2-amino-4-[2-(4-methoxyphenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1ccc(Oc2ccccc2-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C20H14N4O3/c1-26-12-6-8-13(9-7-12)27-17-5-3-2-4-14(17)18-15(10-21)19(23)24-20(25)16(18)11-22/h2-9H,1H3,(H3,23,24,25)
InChIKeyKQFWAYGFHWZRQC-UHFFFAOYSA-N
XLogP3.17
TPSA124.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-oxo-4-[2-(4-propan-2-ylphenoxy)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169395746
2-amino-4-(4-fluoro-2-phenoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395977
2-amino-4-(2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393288
[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)phenyl] acetate
CID 169395905
2-amino-4-[2-(3-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393888
2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393002
2-amino-4-[3-(4-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393882
2-amino-4-(3-methoxy-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393480
2-amino-4-(2-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393004
2-amino-4-(5-methoxy-2-prop-2-ynoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394443
2-amino-4-[2-methoxy-5-(trifluoromethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393218
2-amino-4-(5-chloro-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393229

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(4-methoxyphenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[2-(4-methoxyphenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393402) is 2-amino-4-[2-(4-methoxyphenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[2-(4-methoxyphenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[2-(4-methoxyphenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is COc1ccc(Oc2ccccc2-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 2-amino-4-[2-(4-methoxyphenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is KQFWAYGFHWZRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3/c1-26-12-6-8-13(9-7-12)27-17-5-3-2-4-14(17)18-15(10-21)19(23)24-20(25)16(18)11-22/h2-9H,1H3,(H3,23,24,25).
What are the key properties of 2-amino-4-[2-(4-methoxyphenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[2-(4-methoxyphenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 358.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(4-methoxyphenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).