2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile

C19H14N4O2 — CID 5230184

IUPAC2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
SMILESCc1ccccc1-c1cc(-c2cccc([N+](=O)[O-])c2)c(C#N)c(N)n1
InChIInChI=1S/C19H14N4O2/c1-12-5-2-3-8-15(12)18-10-16(17(11-20)19(21)22-18)13-6-4-7-14(9-13)23(24)25/h2-10H,1H3,(H2,21,22)
InChIKeyIVSIYICFFHFVHB-UHFFFAOYSA-N
MW330.35 g/mol
LogP4.09
Rot. Bonds3

About 2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile

2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile (PubChem CID 5230184) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
PubChem CID5230184
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
SMILESCc1ccccc1-c1cc(-c2cccc([N+](=O)[O-])c2)c(C#N)c(N)n1
InChIInChI=1S/C19H14N4O2/c1-12-5-2-3-8-15(12)18-10-16(17(11-20)19(21)22-18)13-6-4-7-14(9-13)23(24)25/h2-10H,1H3,(H2,21,22)
InChIKeyIVSIYICFFHFVHB-UHFFFAOYSA-N
XLogP4.09
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5209576
2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230675
2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5254077
2-amino-4-(3-fluorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230179
2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5253696
2-amino-4-(3-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258575
2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 3485199
2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5254075
2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5230351
2-amino-4-(4-methylphenyl)-6-(3-nitrophenyl)benzene-1,3-dicarbonitrile
CID 2772313
2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258576
2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
CID 5230491

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile (CID 5230184) is 2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile is Cc1ccccc1-c1cc(-c2cccc([N+](=O)[O-])c2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile?
The InChIKey is IVSIYICFFHFVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-12-5-2-3-8-15(12)18-10-16(17(11-20)19(21)22-18)13-6-4-7-14(9-13)23(24)25/h2-10H,1H3,(H2,21,22).
What are the key properties of 2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile?
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile has a molecular weight of 330.35 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5230184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).