2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C19H20N4O3 — CID 169394445

IUPAC2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1OC(C)CC
InChIInChI=1S/C19H20N4O3/c1-4-11(3)26-15-7-6-12(8-16(15)25-5-2)17-13(9-20)18(22)23-19(24)14(17)10-21/h6-8,11H,4-5H2,1-3H3,(H3,22,23,24)
InChIKeyOFYKLOZEOFBOQZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.94
Rot. Bonds6

About 2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394445) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394445
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1OC(C)CC
InChIInChI=1S/C19H20N4O3/c1-4-11(3)26-15-7-6-12(8-16(15)25-5-2)17-13(9-20)18(22)23-19(24)14(17)10-21/h6-8,11H,4-5H2,1-3H3,(H3,22,23,24)
InChIKeyOFYKLOZEOFBOQZ-UHFFFAOYSA-N
XLogP2.94
TPSA124.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]propanoate
CID 169395170
2-amino-4-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394421
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-ethoxyphenyl] 4-chlorobenzoate
CID 169394805
2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 169395195
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] propanoate
CID 169394799
2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393789
2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169394564
2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395044
2-amino-4-(3-ethoxy-5-iodo-4-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395101
2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393505
2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393173

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394445) is 2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is CCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1OC(C)CC.
What is the InChIKey of 2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is OFYKLOZEOFBOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-4-11(3)26-15-7-6-12(8-16(15)25-5-2)17-13(9-20)18(22)23-19(24)14(17)10-21/h6-8,11H,4-5H2,1-3H3,(H3,22,23,24).
What are the key properties of 2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 352.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).