(4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide

C9H14N2O3 — CID 164729670

IUPAC(4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide
SMILESNC(=O)N1CC[C@@H]2OCC(=O)C[C@H]2C1
InChIInChI=1S/C9H14N2O3/c10-9(13)11-2-1-8-6(4-11)3-7(12)5-14-8/h6,8H,1-5H2,(H2,10,13)/t6-,8-/m0/s1
InChIKeyGKXGNZREXCDRRD-XPUUQOCRSA-N
MW198.22 g/mol
LogP-0.25
Rot. Bonds

About (4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide

(4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide (PubChem CID 164729670) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is (4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name(4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide
PubChem CID164729670
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide
SMILESNC(=O)N1CC[C@@H]2OCC(=O)C[C@H]2C1
InChIInChI=1S/C9H14N2O3/c10-9(13)11-2-1-8-6(4-11)3-7(12)5-14-8/h6,8H,1-5H2,(H2,10,13)/t6-,8-/m0/s1
InChIKeyGKXGNZREXCDRRD-XPUUQOCRSA-N
XLogP-0.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide?
The IUPAC name of (4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide (CID 164729670) is (4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for (4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for (4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide is NC(=O)N1CC[C@@H]2OCC(=O)C[C@H]2C1.
What is the InChIKey of (4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide?
The InChIKey is GKXGNZREXCDRRD-XPUUQOCRSA-N. The full InChI is InChI=1S/C9H14N2O3/c10-9(13)11-2-1-8-6(4-11)3-7(12)5-14-8/h6,8H,1-5H2,(H2,10,13)/t6-,8-/m0/s1.
What are the key properties of (4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide?
(4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide has a molecular weight of 198.22 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 164729670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).