2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C16H13BrN4O2 — CID 169394250

IUPAC2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCCCOc1cc(Br)ccc1-c1c(C#N)c(N)[nH]c(=O)c1C#N
InChIInChI=1S/C16H13BrN4O2/c1-2-5-23-13-6-9(17)3-4-10(13)14-11(7-18)15(20)21-16(22)12(14)8-19/h3-4,6H,2,5H2,1H3,(H3,20,21,22)
InChIKeyDYWIFUJUVSGDDV-UHFFFAOYSA-N
MW373.21 g/mol
LogP2.92
Rot. Bonds4

About 2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394250) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394250
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCCCOc1cc(Br)ccc1-c1c(C#N)c(N)[nH]c(=O)c1C#N
InChIInChI=1S/C16H13BrN4O2/c1-2-5-23-13-6-9(17)3-4-10(13)14-11(7-18)15(20)21-16(22)12(14)8-19/h3-4,6H,2,5H2,1H3,(H3,20,21,22)
InChIKeyDYWIFUJUVSGDDV-UHFFFAOYSA-N
XLogP2.92
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[5-bromo-2-(3-cyanopropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394959
2-amino-4-[5-bromo-2-(4-cyanobutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394984
2-amino-4-(2-bromo-4-butoxy-5-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395066
ethyl 2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-bromophenoxy]acetate
CID 169393682
2-amino-4-(2-butoxy-5-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393559
2-amino-4-(3-methoxy-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393480
2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393520
2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393789
2-amino-4-(5-bromo-2-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395686
2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-bromophenoxy]-N-(4-methylphenyl)acetamide
CID 169395130
2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393760
2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]ethyl acetate
CID 169395184

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394250) is 2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is CCCOc1cc(Br)ccc1-c1c(C#N)c(N)[nH]c(=O)c1C#N.
What is the InChIKey of 2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is DYWIFUJUVSGDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c1-2-5-23-13-6-9(17)3-4-10(13)14-11(7-18)15(20)21-16(22)12(14)8-19/h3-4,6H,2,5H2,1H3,(H3,20,21,22).
What are the key properties of 2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 373.21 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).