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

C18H16BrN5O — CID 169395686

IUPAC2-amino-4-(5-bromo-2-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cc(Br)ccc1N1CCCCC1
InChIInChI=1S/C18H16BrN5O/c19-11-4-5-15(24-6-2-1-3-7-24)12(8-11)16-13(9-20)17(22)23-18(25)14(16)10-21/h4-5,8H,1-3,6-7H2,(H3,22,23,25)
InChIKeyJPOUTUWXHXZOIA-UHFFFAOYSA-N
MW398.26 g/mol
LogP3.12
Rot. Bonds2

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

2-amino-4-(5-bromo-2-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169395686) has the molecular formula C18H16BrN5O and a molecular weight of 398.26 g/mol. Its IUPAC name is 2-amino-4-(5-bromo-2-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-bromo-2-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169395686
Molecular FormulaC18H16BrN5O
Molecular Weight398.26 g/mol
Exact Mass397.05
IUPAC Name2-amino-4-(5-bromo-2-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cc(Br)ccc1N1CCCCC1
InChIInChI=1S/C18H16BrN5O/c19-11-4-5-15(24-6-2-1-3-7-24)12(8-11)16-13(9-20)17(22)23-18(25)14(16)10-21/h4-5,8H,1-3,6-7H2,(H3,22,23,25)
InChIKeyJPOUTUWXHXZOIA-UHFFFAOYSA-N
XLogP3.12
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394299
4-(4-bromo-2-piperidin-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585621
2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394250
2-amino-4-[5-bromo-2-(3-cyanopropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394959
2-amino-4-(2-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393004
2-amino-4-[5-bromo-2-(4-cyanobutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394984
2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393277
ethyl 2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-bromophenoxy]acetate
CID 169393682
4-(4-bromo-2-pyrrolidin-1-ylphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168590192
2-amino-4-(4-ethynyl-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395735
2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395325
2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393150

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromo-2-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(5-bromo-2-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169395686) is 2-amino-4-(5-bromo-2-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(5-bromo-2-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(5-bromo-2-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cc(Br)ccc1N1CCCCC1.
What is the InChIKey of 2-amino-4-(5-bromo-2-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is JPOUTUWXHXZOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O/c19-11-4-5-15(24-6-2-1-3-7-24)12(8-11)16-13(9-20)17(22)23-18(25)14(16)10-21/h4-5,8H,1-3,6-7H2,(H3,22,23,25).
What are the key properties of 2-amino-4-(5-bromo-2-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(5-bromo-2-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 398.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-bromo-2-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169395686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).