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

C19H14N4O2 — CID 5209576

IUPAC2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
SMILESCc1cccc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc(N)c2C#N)c1
InChIInChI=1S/C19H14N4O2/c1-12-4-2-5-13(8-12)16-10-18(22-19(21)17(16)11-20)14-6-3-7-15(9-14)23(24)25/h2-10H,1H3,(H2,21,22)
InChIKeyVJRAWFUDAZNILH-UHFFFAOYSA-N
MW330.35 g/mol
LogP4.09
Rot. Bonds3

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

2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile (PubChem CID 5209576) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
PubChem CID5209576
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
SMILESCc1cccc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc(N)c2C#N)c1
InChIInChI=1S/C19H14N4O2/c1-12-4-2-5-13(8-12)16-10-18(22-19(21)17(16)11-20)14-6-3-7-15(9-14)23(24)25/h2-10H,1H3,(H2,21,22)
InChIKeyVJRAWFUDAZNILH-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-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184
2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5254077
2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5254075
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-(4-methylphenyl)-6-(3-nitrophenyl)benzene-1,3-dicarbonitrile
CID 2772313
2-amino-6-(4-bromophenyl)-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 3395709
2-amino-6-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 4632984
2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5259286
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile (CID 5209576) is 2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile is Cc1cccc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc(N)c2C#N)c1.
What is the InChIKey of 2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile?
The InChIKey is VJRAWFUDAZNILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-12-4-2-5-13(8-12)16-10-18(22-19(21)17(16)11-20)14-6-3-7-15(9-14)23(24)25/h2-10H,1H3,(H2,21,22).
What are the key properties of 2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile?
2-amino-4-(3-methylphenyl)-6-(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-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5209576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).