2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine

C13H14N4O2 — CID 133389276

IUPAC2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine
SMILESCNc1ccc(Nc2ccc(C)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H14N4O2/c1-9-3-5-11(12(7-9)17(18)19)16-10-4-6-13(14-2)15-8-10/h3-8,16H,1-2H3,(H,14,15)
InChIKeyRJRNIBKIPWHBGZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.08
Rot. Bonds4

About 2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine

2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine (PubChem CID 133389276) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine
PubChem CID133389276
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine
SMILESCNc1ccc(Nc2ccc(C)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H14N4O2/c1-9-3-5-11(12(7-9)17(18)19)16-10-4-6-13(14-2)15-8-10/h3-8,16H,1-2H3,(H,14,15)
InChIKeyRJRNIBKIPWHBGZ-UHFFFAOYSA-N
XLogP3.08
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.08
H-Bond Donors ≤ 52
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-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 71983733
N,4-dimethyl-2-nitroaniline;molecular hydrogen
CID 157192400
2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 47235500
4-(4-methyl-2-nitroanilino)benzoic acid
CID 43172016
2-methyl-5-(4-methyl-2-nitroanilino)benzoic acid
CID 63654393
carbon dioxide;4-methyl-2-nitro-N-phenylaniline
CID 91236628
1-[4-(4-methyl-2-nitroanilino)phenyl]ethanol
CID 141052687
3-[[6-(methylamino)-3-pyridinyl]amino]-2-nitrobenzenesulfonamide
CID 133466577
4-bromo-N-(4-methylphenyl)-2-nitroaniline
CID 63463973
N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine
CID 133389844
4-N-(2,4-dinitrophenyl)-1-N-methylbenzene-1,4-diamine
CID 102249231
N-(4-methylphenyl)-2-nitro-4-(trifluoromethyl)aniline
CID 3090532

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine (CID 133389276) is 2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine is CNc1ccc(Nc2ccc(C)cc2[N+](=O)[O-])cn1.
What is the InChIKey of 2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine?
The InChIKey is RJRNIBKIPWHBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-3-5-11(12(7-9)17(18)19)16-10-4-6-13(14-2)15-8-10/h3-8,16H,1-2H3,(H,14,15).
What are the key properties of 2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine?
2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine has a molecular weight of 258.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine is sourced from PubChem (CID 133389276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).