N-(2-cyanoethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C12H15N3O2 — CID 125490316

IUPACN-(2-cyanoethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1cc(C(=O)NCCC#N)c(=O)[nH]c1C
InChIInChI=1S/C12H15N3O2/c1-3-9-7-10(12(17)15-8(9)2)11(16)14-6-4-5-13/h7H,3-4,6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyGNJNOCVAMMYMEK-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.89
Rot. Bonds4

About N-(2-cyanoethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-(2-cyanoethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 125490316) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID125490316
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(2-cyanoethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1cc(C(=O)NCCC#N)c(=O)[nH]c1C
InChIInChI=1S/C12H15N3O2/c1-3-9-7-10(12(17)15-8(9)2)11(16)14-6-4-5-13/h7H,3-4,6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyGNJNOCVAMMYMEK-UHFFFAOYSA-N
XLogP0.89
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 125490316) is N-(2-cyanoethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide is CCc1cc(C(=O)NCCC#N)c(=O)[nH]c1C.
What is the InChIKey of N-(2-cyanoethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GNJNOCVAMMYMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-9-7-10(12(17)15-8(9)2)11(16)14-6-4-5-13/h7H,3-4,6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-cyanoethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-(2-cyanoethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125490316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).