5-methoxy-4-oxo-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-2-carboxamide

C16H23N3O4 — CID 118771786

IUPAC5-methoxy-4-oxo-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)cc1=O
InChIInChI=1S/C16H23N3O4/c1-22-15-8-17-11(7-14(15)20)16(21)18-12-9-23-10-13(12)19-5-3-2-4-6-19/h7-8,12-13H,2-6,9-10H2,1H3,(H,17,20)(H,18,21)/t12-,13-/m0/s1
InChIKeyZQLJNCNKIDGMOX-STQMWFEESA-N
MW321.38 g/mol
LogP0.37
Rot. Bonds4

About 5-methoxy-4-oxo-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-2-carboxamide

5-methoxy-4-oxo-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-2-carboxamide (PubChem CID 118771786) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-methoxy-4-oxo-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-4-oxo-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-2-carboxamide
PubChem CID118771786
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name5-methoxy-4-oxo-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)cc1=O
InChIInChI=1S/C16H23N3O4/c1-22-15-8-17-11(7-14(15)20)16(21)18-12-9-23-10-13(12)19-5-3-2-4-6-19/h7-8,12-13H,2-6,9-10H2,1H3,(H,17,20)(H,18,21)/t12-,13-/m0/s1
InChIKeyZQLJNCNKIDGMOX-STQMWFEESA-N
XLogP0.37
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxo-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-2-carboxamide?
The IUPAC name of 5-methoxy-4-oxo-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-2-carboxamide (CID 118771786) is 5-methoxy-4-oxo-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-methoxy-4-oxo-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-methoxy-4-oxo-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-2-carboxamide is COc1c[nH]c(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)cc1=O.
What is the InChIKey of 5-methoxy-4-oxo-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-2-carboxamide?
The InChIKey is ZQLJNCNKIDGMOX-STQMWFEESA-N. The full InChI is InChI=1S/C16H23N3O4/c1-22-15-8-17-11(7-14(15)20)16(21)18-12-9-23-10-13(12)19-5-3-2-4-6-19/h7-8,12-13H,2-6,9-10H2,1H3,(H,17,20)(H,18,21)/t12-,13-/m0/s1.
What are the key properties of 5-methoxy-4-oxo-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-2-carboxamide?
5-methoxy-4-oxo-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxo-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 118771786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).