2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C14H7N5O2 — CID 169395729

IUPAC2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1cccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1O
InChIInChI=1S/C14H7N5O2/c15-4-7-2-1-3-8(12(7)20)11-9(5-16)13(18)19-14(21)10(11)6-17/h1-3,20H,(H3,18,19,21)
InChIKeyGKEKIIMYQDQTQF-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.94
Rot. Bonds1

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

2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169395729) has the molecular formula C14H7N5O2 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169395729
Molecular FormulaC14H7N5O2
Molecular Weight277.24 g/mol
Exact Mass277.06
IUPAC Name2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1cccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1O
InChIInChI=1S/C14H7N5O2/c15-4-7-2-1-3-8(12(7)20)11-9(5-16)13(18)19-14(21)10(11)6-17/h1-3,20H,(H3,18,19,21)
InChIKeyGKEKIIMYQDQTQF-UHFFFAOYSA-N
XLogP0.94
TPSA150.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169395729) is 2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1cccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1O.
What is the InChIKey of 2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is GKEKIIMYQDQTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N5O2/c15-4-7-2-1-3-8(12(7)20)11-9(5-16)13(18)19-14(21)10(11)6-17/h1-3,20H,(H3,18,19,21).
What are the key properties of 2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 277.24 g/mol, XLogP of 0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169395729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).