N-(3-methyl-2-pyridinyl)-5-nitrofuran-2-carboxamide

C11H9N3O4 — CID 845583

IUPACN-(3-methyl-2-pyridinyl)-5-nitrofuran-2-carboxamide
SMILESCc1cccnc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H9N3O4/c1-7-3-2-6-12-10(7)13-11(15)8-4-5-9(18-8)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeyMMZGCCYXQAGFBN-UHFFFAOYSA-N
MW247.21 g/mol
LogP2.14
Rot. Bonds3

About N-(3-methyl-2-pyridinyl)-5-nitrofuran-2-carboxamide

N-(3-methyl-2-pyridinyl)-5-nitrofuran-2-carboxamide (PubChem CID 845583) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-5-nitrofuran-2-carboxamide
PubChem CID845583
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC NameN-(3-methyl-2-pyridinyl)-5-nitrofuran-2-carboxamide
SMILESCc1cccnc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H9N3O4/c1-7-3-2-6-12-10(7)13-11(15)8-4-5-9(18-8)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeyMMZGCCYXQAGFBN-UHFFFAOYSA-N
XLogP2.14
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 52.14
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-(3-methyl-2-pyridinyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-5-nitrofuran-2-carboxamide (CID 845583) is N-(3-methyl-2-pyridinyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-5-nitrofuran-2-carboxamide is Cc1cccnc1NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-5-nitrofuran-2-carboxamide?
The InChIKey is MMZGCCYXQAGFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c1-7-3-2-6-12-10(7)13-11(15)8-4-5-9(18-8)14(16)17/h2-6H,1H3,(H,12,13,15).
What are the key properties of N-(3-methyl-2-pyridinyl)-5-nitrofuran-2-carboxamide?
N-(3-methyl-2-pyridinyl)-5-nitrofuran-2-carboxamide has a molecular weight of 247.21 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 845583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).