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

C17H14N4O2 — CID 169395772

IUPAC2-amino-4-[4-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCC1(c2ccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)cc2)COC1
InChIInChI=1S/C17H14N4O2/c1-17(8-23-9-17)11-4-2-10(3-5-11)14-12(6-18)15(20)21-16(22)13(14)7-19/h2-5H,8-9H2,1H3,(H3,20,21,22)
InChIKeySYAQHEDPQNGHSD-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.66
Rot. Bonds2

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

2-amino-4-[4-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169395772) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-amino-4-[4-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169395772
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-amino-4-[4-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCC1(c2ccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)cc2)COC1
InChIInChI=1S/C17H14N4O2/c1-17(8-23-9-17)11-4-2-10(3-5-11)14-12(6-18)15(20)21-16(22)13(14)7-19/h2-5H,8-9H2,1H3,(H3,20,21,22)
InChIKeySYAQHEDPQNGHSD-UHFFFAOYSA-N
XLogP1.66
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[4-(4-methylsulfanylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393917
2-amino-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393028
2-amino-4-[4-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394967
2-amino-4-(4-tert-butylsulfanylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395684
2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395284
2-amino-6-oxo-4-[4-(propoxymethyl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169393597
2-amino-6-oxo-4-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169395006
2-amino-4-[4-(2-hydroxyethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394289
2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395599
2-amino-6-oxo-4-(4-prop-2-ynoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393291
2-amino-4-[4-(diethylaminomethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393697
2-[N-(2-acetyloxyethyl)-4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)anilino]ethyl acetate
CID 169395370

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169395772) is 2-amino-4-[4-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is CC1(c2ccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)cc2)COC1.
What is the InChIKey of 2-amino-4-[4-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is SYAQHEDPQNGHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-17(8-23-9-17)11-4-2-10(3-5-11)14-12(6-18)15(20)21-16(22)13(14)7-19/h2-5H,8-9H2,1H3,(H3,20,21,22).
What are the key properties of 2-amino-4-[4-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[4-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 306.33 g/mol, XLogP of 1.66, 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-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169395772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).