5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide

C11H7N5O5 — CID 147669449

IUPAC5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H7N5O5/c17-11(9-3-1-7(5-12-9)15(18)19)14-10-4-2-8(6-13-10)16(20)21/h1-6H,(H,13,14,17)
InChIKeyGMYGABUXESIDFT-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.55
Rot. Bonds4

About 5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide

5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 147669449) has the molecular formula C11H7N5O5 and a molecular weight of 289.21 g/mol. Its IUPAC name is 5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide
PubChem CID147669449
Molecular FormulaC11H7N5O5
Molecular Weight289.21 g/mol
Exact Mass289.04
IUPAC Name5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H7N5O5/c17-11(9-3-1-7(5-12-9)15(18)19)14-10-4-2-8(6-13-10)16(20)21/h1-6H,(H,13,14,17)
InChIKeyGMYGABUXESIDFT-UHFFFAOYSA-N
XLogP1.55
TPSA141.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide (CID 147669449) is 5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is GMYGABUXESIDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O5/c17-11(9-3-1-7(5-12-9)15(18)19)14-10-4-2-8(6-13-10)16(20)21/h1-6H,(H,13,14,17).
What are the key properties of 5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide?
5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 289.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 147669449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).