(2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide

C12H21N3O3 — CID 125219775

IUPAC(2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide
SMILESCNC(=O)[C@@H]1C[C@H]2CCN(C(=O)N(C)C)C[C@@H]2O1
InChIInChI=1S/C12H21N3O3/c1-13-11(16)9-6-8-4-5-15(7-10(8)18-9)12(17)14(2)3/h8-10H,4-7H2,1-3H3,(H,13,16)/t8-,9+,10+/m1/s1
InChIKeySNIXJIKGJAODDJ-UTLUCORTSA-N
MW255.32 g/mol
LogP-0.11
Rot. Bonds1

About (2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide

(2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide (PubChem CID 125219775) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name(2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide
PubChem CID125219775
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name(2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide
SMILESCNC(=O)[C@@H]1C[C@H]2CCN(C(=O)N(C)C)C[C@@H]2O1
InChIInChI=1S/C12H21N3O3/c1-13-11(16)9-6-8-4-5-15(7-10(8)18-9)12(17)14(2)3/h8-10H,4-7H2,1-3H3,(H,13,16)/t8-,9+,10+/m1/s1
InChIKeySNIXJIKGJAODDJ-UTLUCORTSA-N
XLogP-0.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide?
The IUPAC name of (2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide (CID 125219775) is (2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide.
What is the SMILES notation for (2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide?
The canonical SMILES for (2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide is CNC(=O)[C@@H]1C[C@H]2CCN(C(=O)N(C)C)C[C@@H]2O1.
What is the InChIKey of (2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide?
The InChIKey is SNIXJIKGJAODDJ-UTLUCORTSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-13-11(16)9-6-8-4-5-15(7-10(8)18-9)12(17)14(2)3/h8-10H,4-7H2,1-3H3,(H,13,16)/t8-,9+,10+/m1/s1.
What are the key properties of (2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide?
(2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide has a molecular weight of 255.32 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,7aR)-2-N,6-N,6-N-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 125219775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).