2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile

C20H16N4O2 — CID 5172953

IUPAC2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2nc(N)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c2C)cc1
InChIInChI=1S/C20H16N4O2/c1-12-3-5-15(6-4-12)19-13(2)18(17(11-21)20(22)23-19)14-7-9-16(10-8-14)24(25)26/h3-10H,1-2H3,(H2,22,23)
InChIKeyDDYMITZPMOZPDJ-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.39
Rot. Bonds3

About 2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile

2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile (PubChem CID 5172953) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
PubChem CID5172953
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2nc(N)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c2C)cc1
InChIInChI=1S/C20H16N4O2/c1-12-3-5-15(6-4-12)19-13(2)18(17(11-21)20(22)23-19)14-7-9-16(10-8-14)24(25)26/h3-10H,1-2H3,(H2,22,23)
InChIKeyDDYMITZPMOZPDJ-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile (CID 5172953) is 2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile is Cc1ccc(-c2nc(N)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c2C)cc1.
What is the InChIKey of 2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile?
The InChIKey is DDYMITZPMOZPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-12-3-5-15(6-4-12)19-13(2)18(17(11-21)20(22)23-19)14-7-9-16(10-8-14)24(25)26/h3-10H,1-2H3,(H2,22,23).
What are the key properties of 2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile?
2-amino-5-methyl-6-(4-methylphenyl)-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-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5172953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).