N-(butylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C12H16N4O5 — CID 8985555

IUPACN-(butylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCCCCNC(=O)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C12H16N4O5/c1-2-3-6-13-12(19)14-10(17)8-15-7-9(16(20)21)4-5-11(15)18/h4-5,7H,2-3,6,8H2,1H3,(H2,13,14,17,19)
InChIKeyQXKPKDFMPKRINC-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.38
Rot. Bonds6

About N-(butylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-(butylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 8985555) has the molecular formula C12H16N4O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID8985555
Molecular FormulaC12H16N4O5
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC NameN-(butylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCCCCNC(=O)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C12H16N4O5/c1-2-3-6-13-12(19)14-10(17)8-15-7-9(16(20)21)4-5-11(15)18/h4-5,7H,2-3,6,8H2,1H3,(H2,13,14,17,19)
InChIKeyQXKPKDFMPKRINC-UHFFFAOYSA-N
XLogP0.38
TPSA123.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(butylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 8985555) is N-(butylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is CCCCNC(=O)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O.
What is the InChIKey of N-(butylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is QXKPKDFMPKRINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O5/c1-2-3-6-13-12(19)14-10(17)8-15-7-9(16(20)21)4-5-11(15)18/h4-5,7H,2-3,6,8H2,1H3,(H2,13,14,17,19).
What are the key properties of N-(butylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-(butylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 296.28 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 8985555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).