N-hydroxy-4-[4-(5-hydroxy-4-methoxypent-1-ynyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide

C17H24N2O7S — CID 130207889

IUPACN-hydroxy-4-[4-(5-hydroxy-4-methoxypent-1-ynyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCOC(CO)CC#Cc1ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c1
InChIInChI=1S/C17H24N2O7S/c1-17(16(22)18-23,27(3,24)25)8-10-19-9-7-13(11-15(19)21)5-4-6-14(12-20)26-2/h7,9,11,14,20,23H,6,8,10,12H2,1-3H3,(H,18,22)
InChIKeyNPLBMFKAOTXBRX-UHFFFAOYSA-N
MW400.45 g/mol
LogP-0.70
Rot. Bonds8

About N-hydroxy-4-[4-(5-hydroxy-4-methoxypent-1-ynyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide

N-hydroxy-4-[4-(5-hydroxy-4-methoxypent-1-ynyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 130207889) has the molecular formula C17H24N2O7S and a molecular weight of 400.45 g/mol. Its IUPAC name is N-hydroxy-4-[4-(5-hydroxy-4-methoxypent-1-ynyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(5-hydroxy-4-methoxypent-1-ynyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID130207889
Molecular FormulaC17H24N2O7S
Molecular Weight400.45 g/mol
Exact Mass400.13
IUPAC NameN-hydroxy-4-[4-(5-hydroxy-4-methoxypent-1-ynyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCOC(CO)CC#Cc1ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c1
InChIInChI=1S/C17H24N2O7S/c1-17(16(22)18-23,27(3,24)25)8-10-19-9-7-13(11-15(19)21)5-4-6-14(12-20)26-2/h7,9,11,14,20,23H,6,8,10,12H2,1-3H3,(H,18,22)
InChIKeyNPLBMFKAOTXBRX-UHFFFAOYSA-N
XLogP-0.70
TPSA134.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2-phenylethynyl)-1-pyridinyl]butanamide
CID 76511437
N-hydroxy-4-[4-[4-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 118659516
(2R)-4-[4-[4-(3,4-dihydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116142
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide
CID 140640877
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-naphthalen-2-yl-2-oxo-1-pyridinyl)butanamide
CID 57325770
4-[4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76511440
(2R)-4-[4-[4-(3-cyanopropoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116425
(2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116105
N-hydroxy-4-[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 140640897
N-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116437
4-[4-(3,4-difluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116024
4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116031

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-(5-hydroxy-4-methoxypent-1-ynyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-4-[4-(5-hydroxy-4-methoxypent-1-ynyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (CID 130207889) is N-hydroxy-4-[4-(5-hydroxy-4-methoxypent-1-ynyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-4-[4-(5-hydroxy-4-methoxypent-1-ynyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-4-[4-(5-hydroxy-4-methoxypent-1-ynyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is COC(CO)CC#Cc1ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c1.
What is the InChIKey of N-hydroxy-4-[4-(5-hydroxy-4-methoxypent-1-ynyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is NPLBMFKAOTXBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O7S/c1-17(16(22)18-23,27(3,24)25)8-10-19-9-7-13(11-15(19)21)5-4-6-14(12-20)26-2/h7,9,11,14,20,23H,6,8,10,12H2,1-3H3,(H,18,22).
What are the key properties of N-hydroxy-4-[4-(5-hydroxy-4-methoxypent-1-ynyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
N-hydroxy-4-[4-(5-hydroxy-4-methoxypent-1-ynyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 400.45 g/mol, XLogP of -0.70, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(5-hydroxy-4-methoxypent-1-ynyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 130207889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).