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

C9H18Cl2N2O2 — CID 155834202

IUPAC(3aR,7aR)-N-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride
SMILESCNC(=O)[C@@]12CCO[C@@H]1CCNC2.Cl.Cl
InChIInChI=1S/C9H16N2O2.2ClH/c1-10-8(12)9-3-5-13-7(9)2-4-11-6-9;;/h7,11H,2-6H2,1H3,(H,10,12);2*1H/t7-,9-;;/m1../s1
InChIKeyOXAQRVVQCXWIPQ-QRUOIXDJSA-N
MW257.16 g/mol
LogP0.34
Rot. Bonds1

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

(3aR,7aR)-N-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride (PubChem CID 155834202) has the molecular formula C9H18Cl2N2O2 and a molecular weight of 257.16 g/mol. Its IUPAC name is (3aR,7aR)-N-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(3aR,7aR)-N-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride
PubChem CID155834202
Molecular FormulaC9H18Cl2N2O2
Molecular Weight257.16 g/mol
Exact Mass256.07
IUPAC Name(3aR,7aR)-N-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride
SMILESCNC(=O)[C@@]12CCO[C@@H]1CCNC2.Cl.Cl
InChIInChI=1S/C9H16N2O2.2ClH/c1-10-8(12)9-3-5-13-7(9)2-4-11-6-9;;/h7,11H,2-6H2,1H3,(H,10,12);2*1H/t7-,9-;;/m1../s1
InChIKeyOXAQRVVQCXWIPQ-QRUOIXDJSA-N
XLogP0.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aR,7aR)-N-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride 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

(3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride
CID 155834162
(3aS,7aS)-N-methyl-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 124803392
(3aR,7aR)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a-carboxylic acid
CID 124509993
(3aR,7aR)-N-methyl-5-(3-methylphenyl)sulfonyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362779
ethyl (3aS,7aS)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a-carboxylate
CID 125042073
3-hydroxy-N-methyl-1-piperidin-4-ylpiperidine-3-carboxamide
CID 71104083
N,3-dimethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120904288
(2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide
CID 158397052
3-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119944639
(3,3-dimethylpiperidin-4-yl) N-methylcarbamate
CID 130533515
methyl 2-(oxolan-2-yl)piperidine-2-carboxylate
CID 115103593
N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979816

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-N-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride?
The IUPAC name of (3aR,7aR)-N-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride (CID 155834202) is (3aR,7aR)-N-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride.
What is the SMILES notation for (3aR,7aR)-N-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride?
The canonical SMILES for (3aR,7aR)-N-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride is CNC(=O)[C@@]12CCO[C@@H]1CCNC2.Cl.Cl.
What is the InChIKey of (3aR,7aR)-N-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride?
The InChIKey is OXAQRVVQCXWIPQ-QRUOIXDJSA-N. The full InChI is InChI=1S/C9H16N2O2.2ClH/c1-10-8(12)9-3-5-13-7(9)2-4-11-6-9;;/h7,11H,2-6H2,1H3,(H,10,12);2*1H/t7-,9-;;/m1../s1.
What are the key properties of (3aR,7aR)-N-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride?
(3aR,7aR)-N-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride has a molecular weight of 257.16 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-N-methyl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride is sourced from PubChem (CID 155834202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).