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

C17H26N2O3 — CID 88855038

IUPACN-hydroxy-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)CCn1c2c(cc(C(=O)NO)c1=O)CCCCCC2
InChIInChI=1S/C17H26N2O3/c1-12(2)9-10-19-15-8-6-4-3-5-7-13(15)11-14(17(19)21)16(20)18-22/h11-12,22H,3-10H2,1-2H3,(H,18,20)
InChIKeyQASADTMJXUWJDV-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.67
Rot. Bonds4

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

N-hydroxy-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 88855038) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-hydroxy-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID88855038
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-hydroxy-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)CCn1c2c(cc(C(=O)NO)c1=O)CCCCCC2
InChIInChI=1S/C17H26N2O3/c1-12(2)9-10-19-15-8-6-4-3-5-7-13(15)11-14(17(19)21)16(20)18-22/h11-12,22H,3-10H2,1-2H3,(H,18,20)
InChIKeyQASADTMJXUWJDV-UHFFFAOYSA-N
XLogP2.67
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.67
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-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of N-hydroxy-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 88855038) is N-hydroxy-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CC(C)CCn1c2c(cc(C(=O)NO)c1=O)CCCCCC2.
What is the InChIKey of N-hydroxy-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is QASADTMJXUWJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)9-10-19-15-8-6-4-3-5-7-13(15)11-14(17(19)21)16(20)18-22/h11-12,22H,3-10H2,1-2H3,(H,18,20).
What are the key properties of N-hydroxy-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
N-hydroxy-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 88855038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).