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

C17H23N3O4 — CID 70721042

IUPACN-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(C(=O)C2CCOCC2)C[C@H]1O)c1ccccn1
InChIInChI=1S/C17H23N3O4/c21-15-11-20(17(23)12-5-9-24-10-6-12)8-4-13(15)19-16(22)14-3-1-2-7-18-14/h1-3,7,12-13,15,21H,4-6,8-11H2,(H,19,22)/t13-,15-/m1/s1
InChIKeyYTHJEIXTMOXQDU-UKRRQHHQSA-N
MW333.39 g/mol
LogP0.20
Rot. Bonds3

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

N-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 70721042) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
PubChem CID70721042
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(C(=O)C2CCOCC2)C[C@H]1O)c1ccccn1
InChIInChI=1S/C17H23N3O4/c21-15-11-20(17(23)12-5-9-24-10-6-12)8-4-13(15)19-16(22)14-3-1-2-7-18-14/h1-3,7,12-13,15,21H,4-6,8-11H2,(H,19,22)/t13-,15-/m1/s1
InChIKeyYTHJEIXTMOXQDU-UKRRQHHQSA-N
XLogP0.20
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-hydroxy-4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 66706127
N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70765532
N-[(3R,4R)-3-hydroxy-1-(5-methyl-1H-imidazole-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70756562
N-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110234693
N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide
CID 91843922
4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 91840759
N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118766414
N-[(3R,4R)-3-hydroxy-1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 70783420
N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide
CID 70751055
N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 70753150
oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 95845794
N-[(3R,4R)-3-hydroxy-1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 70757296

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide (CID 70721042) is N-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide is O=C(N[C@@H]1CCN(C(=O)C2CCOCC2)C[C@H]1O)c1ccccn1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is YTHJEIXTMOXQDU-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-15-11-20(17(23)12-5-9-24-10-6-12)8-4-13(15)19-16(22)14-3-1-2-7-18-14/h1-3,7,12-13,15,21H,4-6,8-11H2,(H,19,22)/t13-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide?
N-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.20, 3 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-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 70721042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).