N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid

C16H22N2O7 — CID 163340811

IUPACN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O.O=CO
InChIInChI=1S/C15H20N2O5.CH2O2/c1-7-4-8(2)17(3)15(20)11(7)14(19)16-9-5-21-13-10(18)6-22-12(9)13;2-1-3/h4,9-10,12-13,18H,5-6H2,1-3H3,(H,16,19);1H,(H,2,3)/t9-,10+,12+,13+;/m0./s1
InChIKeyCNWPERJLDGPZIM-LMRRZIEOSA-N
MW354.36 g/mol
LogP-1.04
Rot. Bonds2

About N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid

N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid (PubChem CID 163340811) has the molecular formula C16H22N2O7 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid.

Molecular Properties

Compound NameN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid
PubChem CID163340811
Molecular FormulaC16H22N2O7
Molecular Weight354.36 g/mol
Exact Mass354.14
IUPAC NameN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O.O=CO
InChIInChI=1S/C15H20N2O5.CH2O2/c1-7-4-8(2)17(3)15(20)11(7)14(19)16-9-5-21-13-10(18)6-22-12(9)13;2-1-3/h4,9-10,12-13,18H,5-6H2,1-3H3,(H,16,19);1H,(H,2,3)/t9-,10+,12+,13+;/m0./s1
InChIKeyCNWPERJLDGPZIM-LMRRZIEOSA-N
XLogP-1.04
TPSA127.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid?
The IUPAC name of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid (CID 163340811) is N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid.
What is the SMILES notation for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid?
The canonical SMILES for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid is Cc1cc(C)n(C)c(=O)c1C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O.O=CO.
What is the InChIKey of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid?
The InChIKey is CNWPERJLDGPZIM-LMRRZIEOSA-N. The full InChI is InChI=1S/C15H20N2O5.CH2O2/c1-7-4-8(2)17(3)15(20)11(7)14(19)16-9-5-21-13-10(18)6-22-12(9)13;2-1-3/h4,9-10,12-13,18H,5-6H2,1-3H3,(H,16,19);1H,(H,2,3)/t9-,10+,12+,13+;/m0./s1.
What are the key properties of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid?
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid has a molecular weight of 354.36 g/mol, XLogP of -1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid is sourced from PubChem (CID 163340811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).