N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C10H9N5O5 — CID 52692807

IUPACN-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCc1noc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1
InChIInChI=1S/C10H9N5O5/c1-6-11-10(20-13-6)12-8(16)5-14-4-7(15(18)19)2-3-9(14)17/h2-4H,5H2,1H3,(H,11,12,13,16)
InChIKeyLQWNZPOMTZXDBV-UHFFFAOYSA-N
MW279.21 g/mol
LogP0.09
Rot. Bonds4

About N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 52692807) has the molecular formula C10H9N5O5 and a molecular weight of 279.21 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID52692807
Molecular FormulaC10H9N5O5
Molecular Weight279.21 g/mol
Exact Mass279.06
IUPAC NameN-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCc1noc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1
InChIInChI=1S/C10H9N5O5/c1-6-11-10(20-13-6)12-8(16)5-14-4-7(15(18)19)2-3-9(14)17/h2-4H,5H2,1H3,(H,11,12,13,16)
InChIKeyLQWNZPOMTZXDBV-UHFFFAOYSA-N
XLogP0.09
TPSA133.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-1,2,4-oxadiazol-5-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 52692807) is N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is Cc1noc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1.
What is the InChIKey of N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is LQWNZPOMTZXDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O5/c1-6-11-10(20-13-6)12-8(16)5-14-4-7(15(18)19)2-3-9(14)17/h2-4H,5H2,1H3,(H,11,12,13,16).
What are the key properties of N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 279.21 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 52692807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).