(2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C11H18N2O3 — CID 155874668

IUPAC(2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)[C@H]1C[C@@H]2CCN(C(C)=O)C[C@@H]2O1
InChIInChI=1S/C11H18N2O3/c1-7(14)13-4-3-8-5-9(11(15)12-2)16-10(8)6-13/h8-10H,3-6H2,1-2H3,(H,12,15)/t8-,9+,10-/m0/s1
InChIKeyDLJXWAICEPTAPO-AEJSXWLSSA-N
MW226.28 g/mol
LogP-0.24
Rot. Bonds1

About (2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 155874668) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID155874668
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)[C@H]1C[C@@H]2CCN(C(C)=O)C[C@@H]2O1
InChIInChI=1S/C11H18N2O3/c1-7(14)13-4-3-8-5-9(11(15)12-2)16-10(8)6-13/h8-10H,3-6H2,1-2H3,(H,12,15)/t8-,9+,10-/m0/s1
InChIKeyDLJXWAICEPTAPO-AEJSXWLSSA-N
XLogP-0.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(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
(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
(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
5-acetyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-2-carboxylic acid
CID 167720191
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
(3aS,7aR)-N-cyclopropyl-6-(2-methylbenzoyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131679796
[(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)-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
(2R,3aS,7aR)-6-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366937
(6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide
CID 124983384

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 155874668) is (2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2R,3aS,7aR)-6-acetyl-N-methyl-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(C)=O)C[C@@H]2O1.
What is the InChIKey of (2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is DLJXWAICEPTAPO-AEJSXWLSSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7(14)13-4-3-8-5-9(11(15)12-2)16-10(8)6-13/h8-10H,3-6H2,1-2H3,(H,12,15)/t8-,9+,10-/m0/s1.
What are the key properties of (2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aR)-6-acetyl-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155874668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).