(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium

C27H27NOP+ — CID 10028597

IUPAC(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium
SMILESCCc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1C
InChIInChI=1S/C27H26NOP/c1-3-22-19-23(27(29)28-21(22)2)20-30(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-19H,3,20H2,1-2H3/p+1
InChIKeyLNQOASOIHOWRLS-UHFFFAOYSA-O
MW412.49 g/mol
LogP4.74
Rot. Bonds6

About (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium

(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium (PubChem CID 10028597) has the molecular formula C27H27NOP+ and a molecular weight of 412.49 g/mol. Its IUPAC name is (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium
PubChem CID10028597
Molecular FormulaC27H27NOP+
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium
SMILESCCc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1C
InChIInChI=1S/C27H26NOP/c1-3-22-19-23(27(29)28-21(22)2)20-30(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-19H,3,20H2,1-2H3/p+1
InChIKeyLNQOASOIHOWRLS-UHFFFAOYSA-O
XLogP4.74
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium?
The IUPAC name of (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium (CID 10028597) is (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium.
What is the SMILES notation for (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium?
The canonical SMILES for (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium is CCc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1C.
What is the InChIKey of (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium?
The InChIKey is LNQOASOIHOWRLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H26NOP/c1-3-22-19-23(27(29)28-21(22)2)20-30(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-19H,3,20H2,1-2H3/p+1.
What are the key properties of (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium?
(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium has a molecular weight of 412.49 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium is sourced from PubChem (CID 10028597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).