N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide

C13H13N3O4S — CID 9110315

IUPACN-methyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C13H13N3O4S/c1-14(8-11-3-2-6-21-11)13(18)9-15-7-10(16(19)20)4-5-12(15)17/h2-7H,8-9H2,1H3
InChIKeyAGHXAMONJNDKIP-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.48
Rot. Bonds5

About N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide

N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 9110315) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID9110315
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC NameN-methyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C13H13N3O4S/c1-14(8-11-3-2-6-21-11)13(18)9-15-7-10(16(19)20)4-5-12(15)17/h2-7H,8-9H2,1H3
InChIKeyAGHXAMONJNDKIP-UHFFFAOYSA-N
XLogP1.48
TPSA85.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
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-methyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide (CID 9110315) is N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O.
What is the InChIKey of N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AGHXAMONJNDKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-14(8-11-3-2-6-21-11)13(18)9-15-7-10(16(19)20)4-5-12(15)17/h2-7H,8-9H2,1H3.
What are the key properties of N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide?
N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 307.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 9110315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).