N-hydroxy-4-[4-[5-[(2Z)-2-hydroxyiminopropoxy]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide

C19H28N4O7S — CID 11753814

IUPACN-hydroxy-4-[4-[5-[(2Z)-2-hydroxyiminopropoxy]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESC/C(COc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1)=N/O
InChIInChI=1S/C19H28N4O7S/c1-14(21-25)13-30-16-2-3-17(20-12-16)15-4-8-23(9-5-15)31(27,28)19(18(24)22-26)6-10-29-11-7-19/h2-3,12,15,25-26H,4-11,13H2,1H3,(H,22,24)/b21-14-
InChIKeyRYBDBKWJWUSGSE-STZFKDTASA-N
MW456.52 g/mol
LogP0.87
Rot. Bonds7

About N-hydroxy-4-[4-[5-[(2Z)-2-hydroxyiminopropoxy]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[5-[(2Z)-2-hydroxyiminopropoxy]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 11753814) has the molecular formula C19H28N4O7S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-[(2Z)-2-hydroxyiminopropoxy]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-[(2Z)-2-hydroxyiminopropoxy]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID11753814
Molecular FormulaC19H28N4O7S
Molecular Weight456.52 g/mol
Exact Mass456.17
IUPAC NameN-hydroxy-4-[4-[5-[(2Z)-2-hydroxyiminopropoxy]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESC/C(COc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1)=N/O
InChIInChI=1S/C19H28N4O7S/c1-14(21-25)13-30-16-2-3-17(20-12-16)15-4-8-23(9-5-15)31(27,28)19(18(24)22-26)6-10-29-11-7-19/h2-3,12,15,25-26H,4-11,13H2,1H3,(H,22,24)/b21-14-
InChIKeyRYBDBKWJWUSGSE-STZFKDTASA-N
XLogP0.87
TPSA150.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(Pyridin-3-yloxy)-benzenesulfonylamino]-tetrahydro-pyran-4-carboxylic acid hydroxyamide
CID 44342308
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N-hydroxy-2-methyl-4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide
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CID 91779077
2-[(3S,4S)-1-ethylsulfonyl-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]pyridine
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CID 110203292
N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10096121
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10390777
N-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10414222
N-hydroxy-4-[4-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10458603
4-[4-[5-(2,2-difluoropropoxy)pyridin-2-yl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 11754138
N-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide
CID 18723037

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-[(2Z)-2-hydroxyiminopropoxy]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-[(2Z)-2-hydroxyiminopropoxy]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (CID 11753814) is N-hydroxy-4-[4-[5-[(2Z)-2-hydroxyiminopropoxy]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-[(2Z)-2-hydroxyiminopropoxy]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-[(2Z)-2-hydroxyiminopropoxy]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is C/C(COc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1)=N/O.
What is the InChIKey of N-hydroxy-4-[4-[5-[(2Z)-2-hydroxyiminopropoxy]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is RYBDBKWJWUSGSE-STZFKDTASA-N. The full InChI is InChI=1S/C19H28N4O7S/c1-14(21-25)13-30-16-2-3-17(20-12-16)15-4-8-23(9-5-15)31(27,28)19(18(24)22-26)6-10-29-11-7-19/h2-3,12,15,25-26H,4-11,13H2,1H3,(H,22,24)/b21-14-.
What are the key properties of N-hydroxy-4-[4-[5-[(2Z)-2-hydroxyiminopropoxy]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-[(2Z)-2-hydroxyiminopropoxy]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[5-[(2Z)-2-hydroxyiminopropoxy]-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 11753814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).