N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide

C19H21N3O3S — CID 91843922

IUPACN-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O
InChIInChI=1S/C19H21N3O3S/c1-26-17-8-3-2-6-13(17)18(24)21-14-9-11-22(12-16(14)23)19(25)15-7-4-5-10-20-15/h2-8,10,14,16,23H,9,11-12H2,1H3,(H,21,24)/t14-,16-/m1/s1
InChIKeyAJRGNQVNESDBFJ-GDBMZVCRSA-N
MW371.46 g/mol
LogP1.81
Rot. Bonds4

About N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide

N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide (PubChem CID 91843922) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide
PubChem CID91843922
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O
InChIInChI=1S/C19H21N3O3S/c1-26-17-8-3-2-6-13(17)18(24)21-14-9-11-22(12-16(14)23)19(25)15-7-4-5-10-20-15/h2-8,10,14,16,23H,9,11-12H2,1H3,(H,21,24)/t14-,16-/m1/s1
InChIKeyAJRGNQVNESDBFJ-GDBMZVCRSA-N
XLogP1.81
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylsulfanyl)-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 91831433
4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 91840759
3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide
CID 91835978
N-[(3R,4R)-3-hydroxy-1-(5-methyl-1H-imidazole-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70756562
N-[(3R,4R)-3-hydroxy-1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 70757296
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
benzyl 3-hydroxy-4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 66706127
[(3R,4R)-3-hydroxy-4-[(4-methylphthalazin-1-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 118780699
N-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70721042
N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70765532
4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 97237121
[(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 91834088

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide (CID 91843922) is N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide?
The InChIKey is AJRGNQVNESDBFJ-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-26-17-8-3-2-6-13(17)18(24)21-14-9-11-22(12-16(14)23)19(25)15-7-4-5-10-20-15/h2-8,10,14,16,23H,9,11-12H2,1H3,(H,21,24)/t14-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide?
N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide has a molecular weight of 371.46 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 91843922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).