N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide

C23H33N5O5S — CID 11755373

IUPACN-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide
SMILESCc1cc(COC2CCN(S(=O)(=O)CC(CCCc3ncccn3)N(O)C=O)CC2)cc(C)n1
InChIInChI=1S/C23H33N5O5S/c1-18-13-20(14-19(2)26-18)15-33-22-7-11-27(12-8-22)34(31,32)16-21(28(30)17-29)5-3-6-23-24-9-4-10-25-23/h4,9-10,13-14,17,21-22,30H,3,5-8,11-12,15-16H2,1-2H3
InChIKeyYWJGBQDQEVCOHB-UHFFFAOYSA-N
MW491.61 g/mol
LogP2.04
Rot. Bonds12

About N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide

N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide (PubChem CID 11755373) has the molecular formula C23H33N5O5S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide
PubChem CID11755373
Molecular FormulaC23H33N5O5S
Molecular Weight491.61 g/mol
Exact Mass491.22
IUPAC NameN-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide
SMILESCc1cc(COC2CCN(S(=O)(=O)CC(CCCc3ncccn3)N(O)C=O)CC2)cc(C)n1
InChIInChI=1S/C23H33N5O5S/c1-18-13-20(14-19(2)26-18)15-33-22-7-11-27(12-8-22)34(31,32)16-21(28(30)17-29)5-3-6-23-24-9-4-10-25-23/h4,9-10,13-14,17,21-22,30H,3,5-8,11-12,15-16H2,1-2H3
InChIKeyYWJGBQDQEVCOHB-UHFFFAOYSA-N
XLogP2.04
TPSA125.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide
CID 87916888
N-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide
CID 87917025
N-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide
CID 87917009
N-[2-[4-(1,3-benzodioxol-5-ylmethoxy)piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide
CID 87916970
N-[1-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-4-phenylbutan-2-yl]-N-hydroxyformamide
CID 16659953
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide
CID 88918963
N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]sulfonyl-3-ethylhexan-2-yl]-N-hydroxyformamide
CID 142219394
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methoxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135119
N-hydroxy-N-[(1R)-2-[4-(4-methyl-2-nitrophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]formamide
CID 90996203
N-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide
CID 58685788
4-phenylmethoxypiperidine-1-sulfonic acid
CID 174878483
[(1R)-2-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-1-phenylethyl]carbamic acid
CID 90731051

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide?
The IUPAC name of N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide (CID 11755373) is N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide.
What is the SMILES notation for N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide?
The canonical SMILES for N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide is Cc1cc(COC2CCN(S(=O)(=O)CC(CCCc3ncccn3)N(O)C=O)CC2)cc(C)n1.
What is the InChIKey of N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide?
The InChIKey is YWJGBQDQEVCOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O5S/c1-18-13-20(14-19(2)26-18)15-33-22-7-11-27(12-8-22)34(31,32)16-21(28(30)17-29)5-3-6-23-24-9-4-10-25-23/h4,9-10,13-14,17,21-22,30H,3,5-8,11-12,15-16H2,1-2H3.
What are the key properties of N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide?
N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide has a molecular weight of 491.61 g/mol, XLogP of 2.04, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide is sourced from PubChem (CID 11755373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).