2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine

C12H13N5O2 — CID 71983733

IUPAC2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine
SMILESCNc1ccc(Nc2cc(C)c([N+](=O)[O-])cn2)cn1
InChIInChI=1S/C12H13N5O2/c1-8-5-12(15-7-10(8)17(18)19)16-9-3-4-11(13-2)14-6-9/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChIKeyDWVGALAFXFDGGQ-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.48
Rot. Bonds4

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

2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine (PubChem CID 71983733) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine
PubChem CID71983733
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine
SMILESCNc1ccc(Nc2cc(C)c([N+](=O)[O-])cn2)cn1
InChIInChI=1S/C12H13N5O2/c1-8-5-12(15-7-10(8)17(18)19)16-9-3-4-11(13-2)14-6-9/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChIKeyDWVGALAFXFDGGQ-UHFFFAOYSA-N
XLogP2.48
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine (CID 71983733) is 2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine is CNc1ccc(Nc2cc(C)c([N+](=O)[O-])cn2)cn1.
What is the InChIKey of 2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine?
The InChIKey is DWVGALAFXFDGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-8-5-12(15-7-10(8)17(18)19)16-9-3-4-11(13-2)14-6-9/h3-7H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine?
2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine has a molecular weight of 259.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine is sourced from PubChem (CID 71983733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).