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

C19H22F2N2O3 — CID 89346882

IUPAC1-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESO=C(NO)c1cc2c(n(CC3C=C(F)C(F)=CC3)c1=O)CCCCCC2
InChIInChI=1S/C19H22F2N2O3/c20-15-8-7-12(9-16(15)21)11-23-17-6-4-2-1-3-5-13(17)10-14(19(23)25)18(24)22-26/h8-10,12,26H,1-7,11H2,(H,22,24)
InChIKeyLSAZIRYGTZJEMC-UHFFFAOYSA-N
MW364.39 g/mol
LogP3.35
Rot. Bonds3

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

1-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 89346882) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is 1-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID89346882
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Name1-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESO=C(NO)c1cc2c(n(CC3C=C(F)C(F)=CC3)c1=O)CCCCCC2
InChIInChI=1S/C19H22F2N2O3/c20-15-8-7-12(9-16(15)21)11-23-17-6-4-2-1-3-5-13(17)10-14(19(23)25)18(24)22-26/h8-10,12,26H,1-7,11H2,(H,22,24)
InChIKeyLSAZIRYGTZJEMC-UHFFFAOYSA-N
XLogP3.35
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 53.35
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'}

Analyze 1-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide 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 1-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 89346882) is 1-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is O=C(NO)c1cc2c(n(CC3C=C(F)C(F)=CC3)c1=O)CCCCCC2.
What is the InChIKey of 1-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is LSAZIRYGTZJEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c20-15-8-7-12(9-16(15)21)11-23-17-6-4-2-1-3-5-13(17)10-14(19(23)25)18(24)22-26/h8-10,12,26H,1-7,11H2,(H,22,24).
What are the key properties of 1-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 364.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 89346882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).