N-(furan-2-ylmethyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide

C13H13N3O5 — CID 4017755

IUPACN-(furan-2-ylmethyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)NCc2ccco2)c([N+](=O)[O-])n1
InChIInChI=1S/C13H13N3O5/c1-9-4-5-11(13(15-9)16(18)19)21-8-12(17)14-7-10-3-2-6-20-10/h2-6H,7-8H2,1H3,(H,14,17)
InChIKeyQIELUOKPJJMZLC-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.59
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide

N-(furan-2-ylmethyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 4017755) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID4017755
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC NameN-(furan-2-ylmethyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)NCc2ccco2)c([N+](=O)[O-])n1
InChIInChI=1S/C13H13N3O5/c1-9-4-5-11(13(15-9)16(18)19)21-8-12(17)14-7-10-3-2-6-20-10/h2-6H,7-8H2,1H3,(H,14,17)
InChIKeyQIELUOKPJJMZLC-UHFFFAOYSA-N
XLogP1.59
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.59
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-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (CID 4017755) is N-(furan-2-ylmethyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is Cc1ccc(OCC(=O)NCc2ccco2)c([N+](=O)[O-])n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is QIELUOKPJJMZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-9-4-5-11(13(15-9)16(18)19)21-8-12(17)14-7-10-3-2-6-20-10/h2-6H,7-8H2,1H3,(H,14,17).
What are the key properties of N-(furan-2-ylmethyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
N-(furan-2-ylmethyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 291.26 g/mol, XLogP of 1.59, 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-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 4017755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).