2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile

C14H12N4O2 — CID 4633797

IUPAC2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile
SMILESCc1nc(N)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c1C
InChIInChI=1S/C14H12N4O2/c1-8-9(2)17-14(16)12(7-15)13(8)10-3-5-11(6-4-10)18(19)20/h3-6H,1-2H3,(H2,16,17)
InChIKeyVZTPEAYCRCYCEW-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.73
Rot. Bonds2

About 2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile

2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile (PubChem CID 4633797) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile
PubChem CID4633797
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile
SMILESCc1nc(N)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c1C
InChIInChI=1S/C14H12N4O2/c1-8-9(2)17-14(16)12(7-15)13(8)10-3-5-11(6-4-10)18(19)20/h3-6H,1-2H3,(H2,16,17)
InChIKeyVZTPEAYCRCYCEW-UHFFFAOYSA-N
XLogP2.73
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.73
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-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5172953
methyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)pyridine-3-carboxylate
CID 42598064
6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 54752600
2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 932580
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 883053
2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 4633998
6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile
CID 54420031
2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 3485199
2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633632
2-amino-4-(2,6-dichlorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633995
2-amino-4-(4-hydroxy-3-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 856296

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile (CID 4633797) is 2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile is Cc1nc(N)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c1C.
What is the InChIKey of 2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile?
The InChIKey is VZTPEAYCRCYCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-9(2)17-14(16)12(7-15)13(8)10-3-5-11(6-4-10)18(19)20/h3-6H,1-2H3,(H2,16,17).
What are the key properties of 2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile?
2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile has a molecular weight of 268.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 4633797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).