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

C22H18N4O2 — CID 169395746

IUPAC2-amino-6-oxo-4-[2-(4-propan-2-ylphenoxy)phenyl]-1H-pyridine-3,5-dicarbonitrile
SMILESCC(C)c1ccc(Oc2ccccc2-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C22H18N4O2/c1-13(2)14-7-9-15(10-8-14)28-19-6-4-3-5-16(19)20-17(11-23)21(25)26-22(27)18(20)12-24/h3-10,13H,1-2H3,(H3,25,26,27)
InChIKeyWJWYYKDQNPTBFE-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.28
Rot. Bonds4

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

2-amino-6-oxo-4-[2-(4-propan-2-ylphenoxy)phenyl]-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169395746) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-amino-6-oxo-4-[2-(4-propan-2-ylphenoxy)phenyl]-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-oxo-4-[2-(4-propan-2-ylphenoxy)phenyl]-1H-pyridine-3,5-dicarbonitrile
PubChem CID169395746
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-amino-6-oxo-4-[2-(4-propan-2-ylphenoxy)phenyl]-1H-pyridine-3,5-dicarbonitrile
SMILESCC(C)c1ccc(Oc2ccccc2-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C22H18N4O2/c1-13(2)14-7-9-15(10-8-14)28-19-6-4-3-5-16(19)20-17(11-23)21(25)26-22(27)18(20)12-24/h3-10,13H,1-2H3,(H3,25,26,27)
InChIKeyWJWYYKDQNPTBFE-UHFFFAOYSA-N
XLogP4.28
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[2-(4-methoxyphenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393402
2-amino-4-(4-fluoro-2-phenoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395977
2-amino-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393028
[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)phenyl] acetate
CID 169395905
2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393002
2-amino-4-(2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393288
2-amino-4-[2-(3-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393888
2-amino-4-(2-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393004
2-amino-6-oxo-4-[2-(4-phenylmethoxyphenyl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169394120
2-amino-4-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394423
2-amino-4-[2-(4-hydroxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393911
2-amino-6-oxo-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169393205

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-[2-(4-propan-2-ylphenoxy)phenyl]-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-oxo-4-[2-(4-propan-2-ylphenoxy)phenyl]-1H-pyridine-3,5-dicarbonitrile (CID 169395746) is 2-amino-6-oxo-4-[2-(4-propan-2-ylphenoxy)phenyl]-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-oxo-4-[2-(4-propan-2-ylphenoxy)phenyl]-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-oxo-4-[2-(4-propan-2-ylphenoxy)phenyl]-1H-pyridine-3,5-dicarbonitrile is CC(C)c1ccc(Oc2ccccc2-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 2-amino-6-oxo-4-[2-(4-propan-2-ylphenoxy)phenyl]-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is WJWYYKDQNPTBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-13(2)14-7-9-15(10-8-14)28-19-6-4-3-5-16(19)20-17(11-23)21(25)26-22(27)18(20)12-24/h3-10,13H,1-2H3,(H3,25,26,27).
What are the key properties of 2-amino-6-oxo-4-[2-(4-propan-2-ylphenoxy)phenyl]-1H-pyridine-3,5-dicarbonitrile?
2-amino-6-oxo-4-[2-(4-propan-2-ylphenoxy)phenyl]-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 370.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-[2-(4-propan-2-ylphenoxy)phenyl]-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169395746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).