N-(5-nitro-2-pyridinyl)pyridine-3-carboxamide

C11H8N4O3 — CID 2837056

IUPACN-(5-nitro-2-pyridinyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)c1cccnc1
InChIInChI=1S/C11H8N4O3/c16-11(8-2-1-5-12-6-8)14-10-4-3-9(7-13-10)15(17)18/h1-7H,(H,13,14,16)
InChIKeyOPIPFKZJYHMDPN-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.64
Rot. Bonds3

About N-(5-nitro-2-pyridinyl)pyridine-3-carboxamide

N-(5-nitro-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 2837056) has the molecular formula C11H8N4O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is N-(5-nitro-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-nitro-2-pyridinyl)pyridine-3-carboxamide
PubChem CID2837056
Molecular FormulaC11H8N4O3
Molecular Weight244.21 g/mol
Exact Mass244.06
IUPAC NameN-(5-nitro-2-pyridinyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)c1cccnc1
InChIInChI=1S/C11H8N4O3/c16-11(8-2-1-5-12-6-8)14-10-4-3-9(7-13-10)15(17)18/h1-7H,(H,13,14,16)
InChIKeyOPIPFKZJYHMDPN-UHFFFAOYSA-N
XLogP1.64
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.64
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 N-(5-nitro-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-(5-nitro-2-pyridinyl)pyridine-3-carboxamide (CID 2837056) is N-(5-nitro-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-nitro-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-nitro-2-pyridinyl)pyridine-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cn1)c1cccnc1.
What is the InChIKey of N-(5-nitro-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is OPIPFKZJYHMDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3/c16-11(8-2-1-5-12-6-8)14-10-4-3-9(7-13-10)15(17)18/h1-7H,(H,13,14,16).
What are the key properties of N-(5-nitro-2-pyridinyl)pyridine-3-carboxamide?
N-(5-nitro-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 244.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 2837056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).