(2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C14H23N3O3 — CID 125225141

IUPAC(2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H]2CCN(C(=O)N3CCCC3)C[C@@H]2O1
InChIInChI=1S/C14H23N3O3/c1-15-13(18)11-8-10-4-7-17(9-12(10)20-11)14(19)16-5-2-3-6-16/h10-12H,2-9H2,1H3,(H,15,18)/t10-,11+,12+/m1/s1
InChIKeyAFFUDZNTHJHCPV-WOPDTQHZSA-N
MW281.36 g/mol
LogP0.43
Rot. Bonds1

About (2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 125225141) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID125225141
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H]2CCN(C(=O)N3CCCC3)C[C@@H]2O1
InChIInChI=1S/C14H23N3O3/c1-15-13(18)11-8-10-4-7-17(9-12(10)20-11)14(19)16-5-2-3-6-16/h10-12H,2-9H2,1H3,(H,15,18)/t10-,11+,12+/m1/s1
InChIKeyAFFUDZNTHJHCPV-WOPDTQHZSA-N
XLogP0.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

(2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155874668
(2R,3aS,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 97366943
(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
[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 125226533
[(3aS,7aR)-2-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylcyclobutyl)methanone
CID 131683443
(2R,3aS,7aR)-N-methyl-6-[(E)-3-thiophen-2-ylprop-2-enoyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155877866
(2S,3aS,7aR)-N-cyclopropyl-6-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97387873
(2S,3aS,7aR)-N-cyclobutyl-6-(6-methylpyridine-3-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155874111
(3aS,7aR)-N-cyclopropyl-6-(2-methylbenzoyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131679796
(2S,3aR,7aR)-6-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124783218
(2R,3aS,7aR)-6-benzyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155833586
(2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155877203

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 125225141) is (2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is CNC(=O)[C@@H]1C[C@H]2CCN(C(=O)N3CCCC3)C[C@@H]2O1.
What is the InChIKey of (2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is AFFUDZNTHJHCPV-WOPDTQHZSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-15-13(18)11-8-10-4-7-17(9-12(10)20-11)14(19)16-5-2-3-6-16/h10-12H,2-9H2,1H3,(H,15,18)/t10-,11+,12+/m1/s1.
What are the key properties of (2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,7aR)-N-methyl-6-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 125225141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).