2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C14H9FN4O2 — CID 169393173

IUPAC2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1F
InChIInChI=1S/C14H9FN4O2/c1-21-11-4-7(2-3-10(11)15)12-8(5-16)13(18)19-14(20)9(12)6-17/h2-4H,1H3,(H3,18,19,20)
InChIKeyQHWPQZSIEFDTPF-UHFFFAOYSA-N
MW284.25 g/mol
LogP1.52
Rot. Bonds2

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

2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393173) has the molecular formula C14H9FN4O2 and a molecular weight of 284.25 g/mol. Its IUPAC name is 2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393173
Molecular FormulaC14H9FN4O2
Molecular Weight284.25 g/mol
Exact Mass284.07
IUPAC Name2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1F
InChIInChI=1S/C14H9FN4O2/c1-21-11-4-7(2-3-10(11)15)12-8(5-16)13(18)19-14(20)9(12)6-17/h2-4H,1H3,(H3,18,19,20)
InChIKeyQHWPQZSIEFDTPF-UHFFFAOYSA-N
XLogP1.52
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393505
2-amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393833
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] acetate
CID 169393074
2-amino-4-(4-methoxy-3-phenylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395414
2-amino-4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394299
2-amino-4-(3-iodo-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393341
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] propanoate
CID 169394799
2-amino-4-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395332
2-amino-4-(5-chloro-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393229
2-amino-4-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395911
2-amino-4-[3-(4-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393882
2-amino-4-[3-[(dimethylamino)methyl]-4-hydroxy-5-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393320

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393173) is 2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is COc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1F.
What is the InChIKey of 2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is QHWPQZSIEFDTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O2/c1-21-11-4-7(2-3-10(11)15)12-8(5-16)13(18)19-14(20)9(12)6-17/h2-4H,1H3,(H3,18,19,20).
What are the key properties of 2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 284.25 g/mol, XLogP of 1.52, 2 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-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).