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

C13H17N3O4 — CID 7890422

IUPACN-cyclohexyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CCCCC1
InChIInChI=1S/C13H17N3O4/c17-12(14-10-4-2-1-3-5-10)9-15-8-11(16(19)20)6-7-13(15)18/h6-8,10H,1-5,9H2,(H,14,17)
InChIKeyXPLITPQOTNFAQR-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.21
Rot. Bonds4

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

N-cyclohexyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 7890422) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-cyclohexyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID7890422
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN-cyclohexyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CCCCC1
InChIInChI=1S/C13H17N3O4/c17-12(14-10-4-2-1-3-5-10)9-15-8-11(16(19)20)6-7-13(15)18/h6-8,10H,1-5,9H2,(H,14,17)
InChIKeyXPLITPQOTNFAQR-UHFFFAOYSA-N
XLogP1.21
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclohexyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 7890422) is N-cyclohexyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is XPLITPQOTNFAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-12(14-10-4-2-1-3-5-10)9-15-8-11(16(19)20)6-7-13(15)18/h6-8,10H,1-5,9H2,(H,14,17).
What are the key properties of N-cyclohexyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-cyclohexyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 279.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 7890422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).