[diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate

C13H24N2O3P4 — CID 59975139

IUPAC[diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate
SMILESCc1c(C)c(C)n(C(C)C(=O)OP(P)PP)c(=O)c1N(C)C
InChIInChI=1S/C13H24N2O3P4/c1-7-8(2)11(14(5)6)12(16)15(9(7)3)10(4)13(17)18-22(20)21-19/h10,21H,19-20H2,1-6H3
InChIKeyPYFOZZYWZNRVQE-UHFFFAOYSA-N
MW380.24 g/mol
LogP3.51
Rot. Bonds5

About [diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate

[diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate (PubChem CID 59975139) has the molecular formula C13H24N2O3P4 and a molecular weight of 380.24 g/mol. Its IUPAC name is [diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate.

Molecular Properties

Compound Name[diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate
PubChem CID59975139
Molecular FormulaC13H24N2O3P4
Molecular Weight380.24 g/mol
Exact Mass380.07
IUPAC Name[diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate
SMILESCc1c(C)c(C)n(C(C)C(=O)OP(P)PP)c(=O)c1N(C)C
InChIInChI=1S/C13H24N2O3P4/c1-7-8(2)11(14(5)6)12(16)15(9(7)3)10(4)13(17)18-22(20)21-19/h10,21H,19-20H2,1-6H3
InChIKeyPYFOZZYWZNRVQE-UHFFFAOYSA-N
XLogP3.51
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate?
The IUPAC name of [diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate (CID 59975139) is [diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate.
What is the SMILES notation for [diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate?
The canonical SMILES for [diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate is Cc1c(C)c(C)n(C(C)C(=O)OP(P)PP)c(=O)c1N(C)C.
What is the InChIKey of [diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate?
The InChIKey is PYFOZZYWZNRVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3P4/c1-7-8(2)11(14(5)6)12(16)15(9(7)3)10(4)13(17)18-22(20)21-19/h10,21H,19-20H2,1-6H3.
What are the key properties of [diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate?
[diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate has a molecular weight of 380.24 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [diphosphanyl(phosphanyl)phosphanyl] 2-[5-(dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoate is sourced from PubChem (CID 59975139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).