N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide

C18H20N4O3S — CID 70765532

IUPACN-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(C(=O)CSc2ccncc2)C[C@H]1O)c1ccccn1
InChIInChI=1S/C18H20N4O3S/c23-16-11-22(17(24)12-26-13-4-8-19-9-5-13)10-6-14(16)21-18(25)15-3-1-2-7-20-15/h1-5,7-9,14,16,23H,6,10-12H2,(H,21,25)/t14-,16-/m1/s1
InChIKeyOJHMYUJJAFCGSH-GDBMZVCRSA-N
MW372.45 g/mol
LogP0.96
Rot. Bonds5

About N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide

N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 70765532) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide
PubChem CID70765532
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(C(=O)CSc2ccncc2)C[C@H]1O)c1ccccn1
InChIInChI=1S/C18H20N4O3S/c23-16-11-22(17(24)12-26-13-4-8-19-9-5-13)10-6-14(16)21-18(25)15-3-1-2-7-20-15/h1-5,7-9,14,16,23H,6,10-12H2,(H,21,25)/t14-,16-/m1/s1
InChIKeyOJHMYUJJAFCGSH-GDBMZVCRSA-N
XLogP0.96
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

benzyl 3-hydroxy-4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 66706127
N-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70721042
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 66261905
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-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide
CID 91843922
N-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 70765396
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 129367706
1-(3-anilinopiperidin-1-yl)-2-pyridin-4-ylsulfanylethanone
CID 75384358
2-(cyclopropylmethylsulfanyl)-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 91831433
1-[(3S)-3-phenylpiperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 95207742
4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 91840759
[(3R)-1-(2-pyridin-4-ylsulfanylacetyl)pyrrolidin-3-yl]methanesulfonamide
CID 125161073

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide (CID 70765532) is N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide is O=C(N[C@@H]1CCN(C(=O)CSc2ccncc2)C[C@H]1O)c1ccccn1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is OJHMYUJJAFCGSH-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-16-11-22(17(24)12-26-13-4-8-19-9-5-13)10-6-14(16)21-18(25)15-3-1-2-7-20-15/h1-5,7-9,14,16,23H,6,10-12H2,(H,21,25)/t14-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide?
N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 70765532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).