5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide

C20H20FN7O4 — CID 89272898

IUPAC5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide
SMILESCn1nnnc1/C(=N\OCc1cccc(NC(=O)C2OCC(F)CO2)n1)c1ccccc1
InChIInChI=1S/C20H20FN7O4/c1-28-18(24-26-27-28)17(13-6-3-2-4-7-13)25-32-12-15-8-5-9-16(22-15)23-19(29)20-30-10-14(21)11-31-20/h2-9,14,20H,10-12H2,1H3,(H,22,23,29)/b25-17-
InChIKeyGHYCGIKBJPPJOS-UQQQWYQISA-N
MW441.42 g/mol
LogP1.22
Rot. Bonds7

About 5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide

5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide (PubChem CID 89272898) has the molecular formula C20H20FN7O4 and a molecular weight of 441.42 g/mol. Its IUPAC name is 5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide
PubChem CID89272898
Molecular FormulaC20H20FN7O4
Molecular Weight441.42 g/mol
Exact Mass441.16
IUPAC Name5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide
SMILESCn1nnnc1/C(=N\OCc1cccc(NC(=O)C2OCC(F)CO2)n1)c1ccccc1
InChIInChI=1S/C20H20FN7O4/c1-28-18(24-26-27-28)17(13-6-3-2-4-7-13)25-32-12-15-8-5-9-16(22-15)23-19(29)20-30-10-14(21)11-31-20/h2-9,14,20H,10-12H2,1H3,(H,22,23,29)/b25-17-
InChIKeyGHYCGIKBJPPJOS-UQQQWYQISA-N
XLogP1.22
TPSA125.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide?
The IUPAC name of 5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide (CID 89272898) is 5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide is Cn1nnnc1/C(=N\OCc1cccc(NC(=O)C2OCC(F)CO2)n1)c1ccccc1.
What is the InChIKey of 5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide?
The InChIKey is GHYCGIKBJPPJOS-UQQQWYQISA-N. The full InChI is InChI=1S/C20H20FN7O4/c1-28-18(24-26-27-28)17(13-6-3-2-4-7-13)25-32-12-15-8-5-9-16(22-15)23-19(29)20-30-10-14(21)11-31-20/h2-9,14,20H,10-12H2,1H3,(H,22,23,29)/b25-17-.
What are the key properties of 5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide?
5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide has a molecular weight of 441.42 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide is sourced from PubChem (CID 89272898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).