(3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol

C23H26N4O3S — CID 170280958

IUPAC(3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol
SMILESCc1ccc(N[C@@H]2CCN(S(=O)(=O)c3ccc(-c4cncc(C)c4)cc3)C[C@@H]2O)nc1
InChIInChI=1S/C23H26N4O3S/c1-16-3-8-23(25-13-16)26-21-9-10-27(15-22(21)28)31(29,30)20-6-4-18(5-7-20)19-11-17(2)12-24-14-19/h3-8,11-14,21-22,28H,9-10,15H2,1-2H3,(H,25,26)/t21-,22+/m1/s1
InChIKeySCBNEJBKUIRFHN-YADHBBJMSA-N
MW438.55 g/mol
LogP3.00
Rot. Bonds5

About (3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol

(3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol (PubChem CID 170280958) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is (3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol
PubChem CID170280958
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name(3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol
SMILESCc1ccc(N[C@@H]2CCN(S(=O)(=O)c3ccc(-c4cncc(C)c4)cc3)C[C@@H]2O)nc1
InChIInChI=1S/C23H26N4O3S/c1-16-3-8-23(25-13-16)26-21-9-10-27(15-22(21)28)31(29,30)20-6-4-18(5-7-20)19-11-17(2)12-24-14-19/h3-8,11-14,21-22,28H,9-10,15H2,1-2H3,(H,25,26)/t21-,22+/m1/s1
InChIKeySCBNEJBKUIRFHN-YADHBBJMSA-N
XLogP3.00
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol with MolForge

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Related Compounds

4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide
CID 170280805
(3S,4R)-1-[4-(3,5-dimethyl-4-pyridinyl)phenyl]sulfonyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 170282922
(3S,4R)-1-[4-[5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol
CID 170281010
(3S,4R)-1-[4-(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]sulfonyl-4-[(5-methyl-2-pyridinyl)amino]piperidin-3-ol
CID 170280670
(3S,4R)-1-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 170282782
5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide
CID 170282911
5-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 170280706
(3S,4R)-1-[4-(6-methyl-1H-indazol-5-yl)phenyl]sulfonyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 167479097
(3S,4R)-1-[4-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]phenyl]sulfonyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 170282543
(3S,4R)-1-[4-(7-fluoro-1H-indazol-5-yl)phenyl]sulfonyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 170282445
6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine
CID 170265816
4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide
CID 24982872

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol?
The IUPAC name of (3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol (CID 170280958) is (3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol?
The canonical SMILES for (3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol is Cc1ccc(N[C@@H]2CCN(S(=O)(=O)c3ccc(-c4cncc(C)c4)cc3)C[C@@H]2O)nc1.
What is the InChIKey of (3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol?
The InChIKey is SCBNEJBKUIRFHN-YADHBBJMSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-16-3-8-23(25-13-16)26-21-9-10-27(15-22(21)28)31(29,30)20-6-4-18(5-7-20)19-11-17(2)12-24-14-19/h3-8,11-14,21-22,28H,9-10,15H2,1-2H3,(H,25,26)/t21-,22+/m1/s1.
What are the key properties of (3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol?
(3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol has a molecular weight of 438.55 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol is sourced from PubChem (CID 170280958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).