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

C14H10N4O — CID 169393002

IUPAC2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCc1ccccc1-c1c(C#N)c(N)[nH]c(=O)c1C#N
InChIInChI=1S/C14H10N4O/c1-8-4-2-3-5-9(8)12-10(6-15)13(17)18-14(19)11(12)7-16/h2-5H,1H3,(H3,17,18,19)
InChIKeyRFPWMGRVMMYENH-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.68
Rot. Bonds1

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

2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393002) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393002
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCc1ccccc1-c1c(C#N)c(N)[nH]c(=O)c1C#N
InChIInChI=1S/C14H10N4O/c1-8-4-2-3-5-9(8)12-10(6-15)13(17)18-14(19)11(12)7-16/h2-5H,1H3,(H3,17,18,19)
InChIKeyRFPWMGRVMMYENH-UHFFFAOYSA-N
XLogP1.68
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393002) is 2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is Cc1ccccc1-c1c(C#N)c(N)[nH]c(=O)c1C#N.
What is the InChIKey of 2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is RFPWMGRVMMYENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-8-4-2-3-5-9(8)12-10(6-15)13(17)18-14(19)11(12)7-16/h2-5H,1H3,(H3,17,18,19).
What are the key properties of 2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 250.26 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).