N-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C16H21F3N2O3 — CID 88855039

IUPACN-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESO=C(NO)c1cc2c(n(CCCC(F)(F)F)c1=O)CCCCCC2
InChIInChI=1S/C16H21F3N2O3/c17-16(18,19)8-5-9-21-13-7-4-2-1-3-6-11(13)10-12(15(21)23)14(22)20-24/h10,24H,1-9H2,(H,20,22)
InChIKeyPTFDWOVCGNCPAV-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.97
Rot. Bonds4

About N-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

N-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 88855039) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID88855039
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC NameN-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESO=C(NO)c1cc2c(n(CCCC(F)(F)F)c1=O)CCCCCC2
InChIInChI=1S/C16H21F3N2O3/c17-16(18,19)8-5-9-21-13-7-4-2-1-3-6-11(13)10-12(15(21)23)14(22)20-24/h10,24H,1-9H2,(H,20,22)
InChIKeyPTFDWOVCGNCPAV-UHFFFAOYSA-N
XLogP2.97
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of N-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 88855039) is N-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is O=C(NO)c1cc2c(n(CCCC(F)(F)F)c1=O)CCCCCC2.
What is the InChIKey of N-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is PTFDWOVCGNCPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c17-16(18,19)8-5-9-21-13-7-4-2-1-3-6-11(13)10-12(15(21)23)14(22)20-24/h10,24H,1-9H2,(H,20,22).
What are the key properties of N-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
N-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 88855039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).