2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C17H12BrN5O3 — CID 169395044

IUPAC2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc(Br)c1OCC#N
InChIInChI=1S/C17H12BrN5O3/c1-2-25-13-6-9(5-12(18)15(13)26-4-3-19)14-10(7-20)16(22)23-17(24)11(14)8-21/h5-6H,2,4H2,1H3,(H3,22,23,24)
InChIKeyUDSZJAJEPGPCFW-UHFFFAOYSA-N
MW414.22 g/mol
LogP2.43
Rot. Bonds5

About 2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169395044) has the molecular formula C17H12BrN5O3 and a molecular weight of 414.22 g/mol. Its IUPAC name is 2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169395044
Molecular FormulaC17H12BrN5O3
Molecular Weight414.22 g/mol
Exact Mass413.01
IUPAC Name2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc(Br)c1OCC#N
InChIInChI=1S/C17H12BrN5O3/c1-2-25-13-6-9(5-12(18)15(13)26-4-3-19)14-10(7-20)16(22)23-17(24)11(14)8-21/h5-6H,2,4H2,1H3,(H3,22,23,24)
InChIKeyUDSZJAJEPGPCFW-UHFFFAOYSA-N
XLogP2.43
TPSA148.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.22
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide
CID 169395212
2-amino-4-(3-ethoxy-5-iodo-4-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395101
2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394445
2-amino-4-(3-bromo-5-chloro-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394477
4-(3-bromo-4,5-diethoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587101
2-amino-4-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394421
2-amino-4-(2-bromo-4-butoxy-5-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395066
methyl 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2,3-dibromo-6-ethoxyphenoxy]acetate
CID 169395159
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxy-6-iodophenyl] benzoate
CID 169395105
ethyl 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]propanoate
CID 169395170
2-amino-4-(4-butoxy-3-chloro-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394552
2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393789

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169395044) is 2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is CCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc(Br)c1OCC#N.
What is the InChIKey of 2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is UDSZJAJEPGPCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5O3/c1-2-25-13-6-9(5-12(18)15(13)26-4-3-19)14-10(7-20)16(22)23-17(24)11(14)8-21/h5-6H,2,4H2,1H3,(H3,22,23,24).
What are the key properties of 2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 414.22 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169395044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).