N-[7-[(2R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-oxopyrano[3,2-b]pyridin-3-yl]formamide

C17H20N2O8 — CID 89130649

IUPACN-[7-[(2R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-oxopyrano[3,2-b]pyridin-3-yl]formamide
SMILESCO[C@@H]1C(O)C(O)[C@H](Oc2cnc3cc(NC=O)c(=O)oc3c2)OC1(C)C
InChIInChI=1S/C17H20N2O8/c1-17(2)14(24-3)12(21)13(22)16(27-17)25-8-4-11-9(18-6-8)5-10(19-7-20)15(23)26-11/h4-7,12-14,16,21-22H,1-3H3,(H,19,20)/t12?,13?,14-,16-/m1/s1
InChIKeyYASUKSNGFPPEQM-UWTIDYAISA-N
MW380.35 g/mol
LogP0.01
Rot. Bonds5

About N-[7-[(2R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-oxopyrano[3,2-b]pyridin-3-yl]formamide

N-[7-[(2R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-oxopyrano[3,2-b]pyridin-3-yl]formamide (PubChem CID 89130649) has the molecular formula C17H20N2O8 and a molecular weight of 380.35 g/mol. Its IUPAC name is N-[7-[(2R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-oxopyrano[3,2-b]pyridin-3-yl]formamide.

Molecular Properties

Compound NameN-[7-[(2R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-oxopyrano[3,2-b]pyridin-3-yl]formamide
PubChem CID89130649
Molecular FormulaC17H20N2O8
Molecular Weight380.35 g/mol
Exact Mass380.12
IUPAC NameN-[7-[(2R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-oxopyrano[3,2-b]pyridin-3-yl]formamide
SMILESCO[C@@H]1C(O)C(O)[C@H](Oc2cnc3cc(NC=O)c(=O)oc3c2)OC1(C)C
InChIInChI=1S/C17H20N2O8/c1-17(2)14(24-3)12(21)13(22)16(27-17)25-8-4-11-9(18-6-8)5-10(19-7-20)15(23)26-11/h4-7,12-14,16,21-22H,1-3H3,(H,19,20)/t12?,13?,14-,16-/m1/s1
InChIKeyYASUKSNGFPPEQM-UWTIDYAISA-N
XLogP0.01
TPSA140.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-[(2R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-oxopyrano[3,2-b]pyridin-3-yl]formamide?
The IUPAC name of N-[7-[(2R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-oxopyrano[3,2-b]pyridin-3-yl]formamide (CID 89130649) is N-[7-[(2R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-oxopyrano[3,2-b]pyridin-3-yl]formamide.
What is the SMILES notation for N-[7-[(2R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-oxopyrano[3,2-b]pyridin-3-yl]formamide?
The canonical SMILES for N-[7-[(2R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-oxopyrano[3,2-b]pyridin-3-yl]formamide is CO[C@@H]1C(O)C(O)[C@H](Oc2cnc3cc(NC=O)c(=O)oc3c2)OC1(C)C.
What is the InChIKey of N-[7-[(2R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-oxopyrano[3,2-b]pyridin-3-yl]formamide?
The InChIKey is YASUKSNGFPPEQM-UWTIDYAISA-N. The full InChI is InChI=1S/C17H20N2O8/c1-17(2)14(24-3)12(21)13(22)16(27-17)25-8-4-11-9(18-6-8)5-10(19-7-20)15(23)26-11/h4-7,12-14,16,21-22H,1-3H3,(H,19,20)/t12?,13?,14-,16-/m1/s1.
What are the key properties of N-[7-[(2R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-oxopyrano[3,2-b]pyridin-3-yl]formamide?
N-[7-[(2R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-oxopyrano[3,2-b]pyridin-3-yl]formamide has a molecular weight of 380.35 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(2R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-oxopyrano[3,2-b]pyridin-3-yl]formamide is sourced from PubChem (CID 89130649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).