2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C14H9ClN4O — CID 169393282

IUPAC2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCc1cc(Cl)ccc1-c1c(C#N)c(N)[nH]c(=O)c1C#N
InChIInChI=1S/C14H9ClN4O/c1-7-4-8(15)2-3-9(7)12-10(5-16)13(18)19-14(20)11(12)6-17/h2-4H,1H3,(H3,18,19,20)
InChIKeyCBTRNKXYMAPLCO-UHFFFAOYSA-N
MW284.71 g/mol
LogP2.33
Rot. Bonds1

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

2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393282) has the molecular formula C14H9ClN4O and a molecular weight of 284.71 g/mol. Its IUPAC name is 2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393282
Molecular FormulaC14H9ClN4O
Molecular Weight284.71 g/mol
Exact Mass284.05
IUPAC Name2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCc1cc(Cl)ccc1-c1c(C#N)c(N)[nH]c(=O)c1C#N
InChIInChI=1S/C14H9ClN4O/c1-7-4-8(15)2-3-9(7)12-10(5-16)13(18)19-14(20)11(12)6-17/h2-4H,1H3,(H3,18,19,20)
InChIKeyCBTRNKXYMAPLCO-UHFFFAOYSA-N
XLogP2.33
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393282) is 2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is Cc1cc(Cl)ccc1-c1c(C#N)c(N)[nH]c(=O)c1C#N.
What is the InChIKey of 2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is CBTRNKXYMAPLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O/c1-7-4-8(15)2-3-9(7)12-10(5-16)13(18)19-14(20)11(12)6-17/h2-4H,1H3,(H3,18,19,20).
What are the key properties of 2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 284.71 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).