2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile

C20H16N4O2 — CID 3485199

IUPAC2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)c(C#N)c(N)n2)cc1C
InChIInChI=1S/C20H16N4O2/c1-12-3-4-15(9-13(12)2)19-10-17(18(11-21)20(22)23-19)14-5-7-16(8-6-14)24(25)26/h3-10H,1-2H3,(H2,22,23)
InChIKeyGAQZKLUOWNVYIS-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.39
Rot. Bonds3

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

2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile (PubChem CID 3485199) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
PubChem CID3485199
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)c(C#N)c(N)n2)cc1C
InChIInChI=1S/C20H16N4O2/c1-12-3-4-15(9-13(12)2)19-10-17(18(11-21)20(22)23-19)14-5-7-16(8-6-14)24(25)26/h3-10H,1-2H3,(H2,22,23)
InChIKeyGAQZKLUOWNVYIS-UHFFFAOYSA-N
XLogP4.39
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.39
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-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5209576
2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5254077
2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5253696
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184
3-[4-[6-amino-5-cyano-4-(4-nitrophenyl)-2-pyridinyl]phenyl]oxadiazol-3-ium-5-olate
CID 11361572
2-amino-4-(3-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258575
2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 5209410
2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile
CID 3498060
2-amino-6-(3,4-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3502077
2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258576
2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 73353825

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile (CID 3485199) is 2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)c(C#N)c(N)n2)cc1C.
What is the InChIKey of 2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile?
The InChIKey is GAQZKLUOWNVYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-12-3-4-15(9-13(12)2)19-10-17(18(11-21)20(22)23-19)14-5-7-16(8-6-14)24(25)26/h3-10H,1-2H3,(H2,22,23).
What are the key properties of 2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile?
2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile has a molecular weight of 344.37 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3485199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).