2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C19H16N6O2 — CID 169395723

IUPAC2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCCCCc1nnc(-c2ccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)cc2)o1
InChIInChI=1S/C19H16N6O2/c1-2-3-4-15-24-25-19(27-15)12-7-5-11(6-8-12)16-13(9-20)17(22)23-18(26)14(16)10-21/h5-8H,2-4H2,1H3,(H3,22,23,26)
InChIKeyJQBXVTCWGPFBER-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.76
Rot. Bonds5

About 2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169395723) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169395723
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCCCCc1nnc(-c2ccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)cc2)o1
InChIInChI=1S/C19H16N6O2/c1-2-3-4-15-24-25-19(27-15)12-7-5-11(6-8-12)16-13(9-20)17(22)23-18(26)14(16)10-21/h5-8H,2-4H2,1H3,(H3,22,23,26)
InChIKeyJQBXVTCWGPFBER-UHFFFAOYSA-N
XLogP2.76
TPSA145.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

2-amino-4-(4-hex-1-ynylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395366
2-amino-4-[4-(2-hydroxyethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394289
2-amino-4-[4-(diethylaminomethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393697
2-amino-4-[4-(4-methylsulfanylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393917
2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393789
2-amino-4-[4-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394967
[5,7-diamino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169381219
2-amino-4-(4-tert-butylsulfanylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395684
ethyl 6-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 169392732
2-amino-4-[4-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395772
2-amino-6-oxo-4-(3-pentylsulfanylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393575
2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole
CID 102384865

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169395723) is 2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is CCCCc1nnc(-c2ccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)cc2)o1.
What is the InChIKey of 2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is JQBXVTCWGPFBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-2-3-4-15-24-25-19(27-15)12-7-5-11(6-8-12)16-13(9-20)17(22)23-18(26)14(16)10-21/h5-8H,2-4H2,1H3,(H3,22,23,26).
What are the key properties of 2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 360.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169395723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).