[5-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate

C14H15N4O6P — CID 139033314

IUPAC[5-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate
SMILESCc1ncc(COP(=O)(O)O)c(C=NNC(=O)c2ccncc2)c1O
InChIInChI=1S/C14H15N4O6P/c1-9-13(19)12(11(6-16-9)8-24-25(21,22)23)7-17-18-14(20)10-2-4-15-5-3-10/h2-7,19H,8H2,1H3,(H,18,20)(H2,21,22,23)
InChIKeyLQRREJRMNFJHOE-UHFFFAOYSA-N
MW366.27 g/mol
LogP0.86
Rot. Bonds6

About [5-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate

[5-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate (PubChem CID 139033314) has the molecular formula C14H15N4O6P and a molecular weight of 366.27 g/mol. Its IUPAC name is [5-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[5-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate
PubChem CID139033314
Molecular FormulaC14H15N4O6P
Molecular Weight366.27 g/mol
Exact Mass366.07
IUPAC Name[5-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate
SMILESCc1ncc(COP(=O)(O)O)c(C=NNC(=O)c2ccncc2)c1O
InChIInChI=1S/C14H15N4O6P/c1-9-13(19)12(11(6-16-9)8-24-25(21,22)23)7-17-18-14(20)10-2-4-15-5-3-10/h2-7,19H,8H2,1H3,(H,18,20)(H2,21,22,23)
InChIKeyLQRREJRMNFJHOE-UHFFFAOYSA-N
XLogP0.86
TPSA154.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [5-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate 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-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate?
The IUPAC name of [5-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate (CID 139033314) is [5-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate.
What is the SMILES notation for [5-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate?
The canonical SMILES for [5-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate is Cc1ncc(COP(=O)(O)O)c(C=NNC(=O)c2ccncc2)c1O.
What is the InChIKey of [5-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate?
The InChIKey is LQRREJRMNFJHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N4O6P/c1-9-13(19)12(11(6-16-9)8-24-25(21,22)23)7-17-18-14(20)10-2-4-15-5-3-10/h2-7,19H,8H2,1H3,(H,18,20)(H2,21,22,23).
What are the key properties of [5-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate?
[5-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate has a molecular weight of 366.27 g/mol, XLogP of 0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-6-methyl-4-[(pyridine-4-carbonylhydrazinylidene)methyl]-3-pyridinyl]methyl dihydrogen phosphate is sourced from PubChem (CID 139033314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).