[6-(cyclohexylmethyl)-2-oxo-3-phenyl-1H-pyridin-4-yl]oxymethyl dihydrogen phosphite

C19H24NO5P — CID 144647394

IUPAC[6-(cyclohexylmethyl)-2-oxo-3-phenyl-1H-pyridin-4-yl]oxymethyl dihydrogen phosphite
SMILESO=c1[nH]c(CC2CCCCC2)cc(OCOP(O)O)c1-c1ccccc1
InChIInChI=1S/C19H24NO5P/c21-19-18(15-9-5-2-6-10-15)17(24-13-25-26(22)23)12-16(20-19)11-14-7-3-1-4-8-14/h2,5-6,9-10,12,14,22-23H,1,3-4,7-8,11,13H2,(H,20,21)
InChIKeyKSNUVCHBWHHXOH-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.73
Rot. Bonds7

About [6-(cyclohexylmethyl)-2-oxo-3-phenyl-1H-pyridin-4-yl]oxymethyl dihydrogen phosphite

[6-(cyclohexylmethyl)-2-oxo-3-phenyl-1H-pyridin-4-yl]oxymethyl dihydrogen phosphite (PubChem CID 144647394) has the molecular formula C19H24NO5P and a molecular weight of 377.38 g/mol. Its IUPAC name is [6-(cyclohexylmethyl)-2-oxo-3-phenyl-1H-pyridin-4-yl]oxymethyl dihydrogen phosphite.

Molecular Properties

Compound Name[6-(cyclohexylmethyl)-2-oxo-3-phenyl-1H-pyridin-4-yl]oxymethyl dihydrogen phosphite
PubChem CID144647394
Molecular FormulaC19H24NO5P
Molecular Weight377.38 g/mol
Exact Mass377.14
IUPAC Name[6-(cyclohexylmethyl)-2-oxo-3-phenyl-1H-pyridin-4-yl]oxymethyl dihydrogen phosphite
SMILESO=c1[nH]c(CC2CCCCC2)cc(OCOP(O)O)c1-c1ccccc1
InChIInChI=1S/C19H24NO5P/c21-19-18(15-9-5-2-6-10-15)17(24-13-25-26(22)23)12-16(20-19)11-14-7-3-1-4-8-14/h2,5-6,9-10,12,14,22-23H,1,3-4,7-8,11,13H2,(H,20,21)
InChIKeyKSNUVCHBWHHXOH-UHFFFAOYSA-N
XLogP3.73
TPSA91.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(cyclohexylmethyl)-2-oxo-3-phenyl-1H-pyridin-4-yl]oxymethyl dihydrogen phosphite?
The IUPAC name of [6-(cyclohexylmethyl)-2-oxo-3-phenyl-1H-pyridin-4-yl]oxymethyl dihydrogen phosphite (CID 144647394) is [6-(cyclohexylmethyl)-2-oxo-3-phenyl-1H-pyridin-4-yl]oxymethyl dihydrogen phosphite.
What is the SMILES notation for [6-(cyclohexylmethyl)-2-oxo-3-phenyl-1H-pyridin-4-yl]oxymethyl dihydrogen phosphite?
The canonical SMILES for [6-(cyclohexylmethyl)-2-oxo-3-phenyl-1H-pyridin-4-yl]oxymethyl dihydrogen phosphite is O=c1[nH]c(CC2CCCCC2)cc(OCOP(O)O)c1-c1ccccc1.
What is the InChIKey of [6-(cyclohexylmethyl)-2-oxo-3-phenyl-1H-pyridin-4-yl]oxymethyl dihydrogen phosphite?
The InChIKey is KSNUVCHBWHHXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24NO5P/c21-19-18(15-9-5-2-6-10-15)17(24-13-25-26(22)23)12-16(20-19)11-14-7-3-1-4-8-14/h2,5-6,9-10,12,14,22-23H,1,3-4,7-8,11,13H2,(H,20,21).
What are the key properties of [6-(cyclohexylmethyl)-2-oxo-3-phenyl-1H-pyridin-4-yl]oxymethyl dihydrogen phosphite?
[6-(cyclohexylmethyl)-2-oxo-3-phenyl-1H-pyridin-4-yl]oxymethyl dihydrogen phosphite has a molecular weight of 377.38 g/mol, XLogP of 3.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclohexylmethyl)-2-oxo-3-phenyl-1H-pyridin-4-yl]oxymethyl dihydrogen phosphite is sourced from PubChem (CID 144647394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).