2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C18H17FN4O2 — CID 169393505

IUPAC2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCC(C)CCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1F
InChIInChI=1S/C18H17FN4O2/c1-10(2)5-6-25-15-7-11(3-4-14(15)19)16-12(8-20)17(22)23-18(24)13(16)9-21/h3-4,7,10H,5-6H2,1-2H3,(H3,22,23,24)
InChIKeyUVHJBQXXSAHGRO-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.93
Rot. Bonds5

About 2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393505) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393505
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCC(C)CCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1F
InChIInChI=1S/C18H17FN4O2/c1-10(2)5-6-25-15-7-11(3-4-14(15)19)16-12(8-20)17(22)23-18(24)13(16)9-21/h3-4,7,10H,5-6H2,1-2H3,(H3,22,23,24)
InChIKeyUVHJBQXXSAHGRO-UHFFFAOYSA-N
XLogP2.93
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393173
2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393789
2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394445
2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393716
2-amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393833
ethyl 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]propanoate
CID 169395170
2-amino-4-[5-chloro-2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394382
2-amino-4-[4-[(3-chlorophenyl)methoxy]-3-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393728
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] propanoate
CID 169394799
2-amino-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393028
2-amino-4-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395332
2-amino-6-oxo-4-[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169393727

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393505) is 2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is CC(C)CCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1F.
What is the InChIKey of 2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is UVHJBQXXSAHGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-10(2)5-6-25-15-7-11(3-4-14(15)19)16-12(8-20)17(22)23-18(24)13(16)9-21/h3-4,7,10H,5-6H2,1-2H3,(H3,22,23,24).
What are the key properties of 2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 340.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).