4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide

C24H27N5O4S — CID 170280805

IUPAC4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CC[C@@H](Nc4ccc(C)cn4)[C@@H](O)C3)cc2)ccn1
InChIInChI=1S/C24H27N5O4S/c1-16-3-8-23(27-14-16)28-20-10-12-29(15-22(20)30)34(32,33)19-6-4-17(5-7-19)18-9-11-26-21(13-18)24(31)25-2/h3-9,11,13-14,20,22,30H,10,12,15H2,1-2H3,(H,25,31)(H,27,28)/t20-,22+/m1/s1
InChIKeyJNCORIMTWZRXRU-IRLDBZIGSA-N
MW481.58 g/mol
LogP2.05
Rot. Bonds6

About 4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide

4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide (PubChem CID 170280805) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide
PubChem CID170280805
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CC[C@@H](Nc4ccc(C)cn4)[C@@H](O)C3)cc2)ccn1
InChIInChI=1S/C24H27N5O4S/c1-16-3-8-23(27-14-16)28-20-10-12-29(15-22(20)30)34(32,33)19-6-4-17(5-7-19)18-9-11-26-21(13-18)24(31)25-2/h3-9,11,13-14,20,22,30H,10,12,15H2,1-2H3,(H,25,31)(H,27,28)/t20-,22+/m1/s1
InChIKeyJNCORIMTWZRXRU-IRLDBZIGSA-N
XLogP2.05
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol
CID 170280958
(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-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]phenyl]sulfonyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 170282543
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-(3,5-dimethyl-4-pyridinyl)phenyl]sulfonyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 170282922
(3S,4R)-1-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 170282782
(3S,4R)-1-[4-(6-methyl-1H-indazol-5-yl)phenyl]sulfonyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 167479097
5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide
CID 170282911
(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 4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide (CID 170280805) is 4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CC[C@@H](Nc4ccc(C)cn4)[C@@H](O)C3)cc2)ccn1.
What is the InChIKey of 4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide?
The InChIKey is JNCORIMTWZRXRU-IRLDBZIGSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-16-3-8-23(27-14-16)28-20-10-12-29(15-22(20)30)34(32,33)19-6-4-17(5-7-19)18-9-11-26-21(13-18)24(31)25-2/h3-9,11,13-14,20,22,30H,10,12,15H2,1-2H3,(H,25,31)(H,27,28)/t20-,22+/m1/s1.
What are the key properties of 4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide?
4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 170280805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).