N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C12H11N3O5 — CID 4302929

IUPACN-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESO=C(COc1cccnc1[N+](=O)[O-])NCc1ccco1
InChIInChI=1S/C12H11N3O5/c16-11(14-7-9-3-2-6-19-9)8-20-10-4-1-5-13-12(10)15(17)18/h1-6H,7-8H2,(H,14,16)
InChIKeyICHBQYGJOGQKOU-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.28
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 4302929) has the molecular formula C12H11N3O5 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID4302929
Molecular FormulaC12H11N3O5
Molecular Weight277.24 g/mol
Exact Mass277.07
IUPAC NameN-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESO=C(COc1cccnc1[N+](=O)[O-])NCc1ccco1
InChIInChI=1S/C12H11N3O5/c16-11(14-7-9-3-2-6-19-9)8-20-10-4-1-5-13-12(10)15(17)18/h1-6H,7-8H2,(H,14,16)
InChIKeyICHBQYGJOGQKOU-UHFFFAOYSA-N
XLogP1.28
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
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 N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 4302929) is N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is O=C(COc1cccnc1[N+](=O)[O-])NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is ICHBQYGJOGQKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5/c16-11(14-7-9-3-2-6-19-9)8-20-10-4-1-5-13-12(10)15(17)18/h1-6H,7-8H2,(H,14,16).
What are the key properties of N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 277.24 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 4302929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).