N-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C15H19N3O4 — CID 18127614

IUPACN-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1=CCCCC1
InChIInChI=1S/C15H19N3O4/c1-2-17(12-6-4-3-5-7-12)15(20)11-16-10-13(18(21)22)8-9-14(16)19/h6,8-10H,2-5,7,11H2,1H3
InChIKeyPIIZEGJBQJCIOV-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.06
Rot. Bonds5

About N-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 18127614) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID18127614
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1=CCCCC1
InChIInChI=1S/C15H19N3O4/c1-2-17(12-6-4-3-5-7-12)15(20)11-16-10-13(18(21)22)8-9-14(16)19/h6,8-10H,2-5,7,11H2,1H3
InChIKeyPIIZEGJBQJCIOV-UHFFFAOYSA-N
XLogP2.06
TPSA85.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
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-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 18127614) is N-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is PIIZEGJBQJCIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-2-17(12-6-4-3-5-7-12)15(20)11-16-10-13(18(21)22)8-9-14(16)19/h6,8-10H,2-5,7,11H2,1H3.
What are the key properties of N-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 305.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 18127614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).