5-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide

C18H19FN2O5 — CID 53327252

IUPAC5-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide
SMILESCN(O)C(=O)c1ncc(C(O)c2ccc(F)cc2)c2c1OC(C)(C)OC2
InChIInChI=1S/C18H19FN2O5/c1-18(2)25-9-13-12(15(22)10-4-6-11(19)7-5-10)8-20-14(16(13)26-18)17(23)21(3)24/h4-8,15,22,24H,9H2,1-3H3
InChIKeyHHFSQDCKCIKLAL-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.41
Rot. Bonds3

About 5-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide

5-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide (PubChem CID 53327252) has the molecular formula C18H19FN2O5 and a molecular weight of 362.36 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide
PubChem CID53327252
Molecular FormulaC18H19FN2O5
Molecular Weight362.36 g/mol
Exact Mass362.13
IUPAC Name5-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide
SMILESCN(O)C(=O)c1ncc(C(O)c2ccc(F)cc2)c2c1OC(C)(C)OC2
InChIInChI=1S/C18H19FN2O5/c1-18(2)25-9-13-12(15(22)10-4-6-11(19)7-5-10)8-20-14(16(13)26-18)17(23)21(3)24/h4-8,15,22,24H,9H2,1-3H3
InChIKeyHHFSQDCKCIKLAL-UHFFFAOYSA-N
XLogP2.41
TPSA92.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide (CID 53327252) is 5-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide is CN(O)C(=O)c1ncc(C(O)c2ccc(F)cc2)c2c1OC(C)(C)OC2.
What is the InChIKey of 5-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide?
The InChIKey is HHFSQDCKCIKLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5/c1-18(2)25-9-13-12(15(22)10-4-6-11(19)7-5-10)8-20-14(16(13)26-18)17(23)21(3)24/h4-8,15,22,24H,9H2,1-3H3.
What are the key properties of 5-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide?
5-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)-hydroxymethyl]-N-hydroxy-N,2,2-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxamide is sourced from PubChem (CID 53327252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).