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

C15H23Cl2N3O2 — CID 155834162

IUPAC(3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCc1ccccn1)[C@@]12CCO[C@@H]1CCNC2
InChIInChI=1S/C15H21N3O2.2ClH/c19-14(18-9-4-12-3-1-2-7-17-12)15-6-10-20-13(15)5-8-16-11-15;;/h1-3,7,13,16H,4-6,8-11H2,(H,18,19);2*1H/t13-,15-;;/m1../s1
InChIKeyKCFXJABLQXMZDL-FVAFFMJJSA-N
MW348.27 g/mol
LogP1.35
Rot. Bonds4

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

(3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride (PubChem CID 155834162) has the molecular formula C15H23Cl2N3O2 and a molecular weight of 348.27 g/mol. Its IUPAC name is (3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride
PubChem CID155834162
Molecular FormulaC15H23Cl2N3O2
Molecular Weight348.27 g/mol
Exact Mass347.12
IUPAC Name(3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCc1ccccn1)[C@@]12CCO[C@@H]1CCNC2
InChIInChI=1S/C15H21N3O2.2ClH/c19-14(18-9-4-12-3-1-2-7-17-12)15-6-10-20-13(15)5-8-16-11-15;;/h1-3,7,13,16H,4-6,8-11H2,(H,18,19);2*1H/t13-,15-;;/m1../s1
InChIKeyKCFXJABLQXMZDL-FVAFFMJJSA-N
XLogP1.35
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 125235405
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078
3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 106979600
(3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97387292
4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 113280565
1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991
1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 51357520
(3S,4aS,8aR)-N-(2-pyridin-2-ylethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine-3-carboxamide;dihydrochloride
CID 155826338
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119827893
N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride
CID 154911195
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 111573294

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride?
The IUPAC name of (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) is (3aR,7aR)-N-(2-pyridin-2-ylethyl)-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-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride?
The canonical SMILES for (3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCc1ccccn1)[C@@]12CCO[C@@H]1CCNC2.
What is the InChIKey of (3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride?
The InChIKey is KCFXJABLQXMZDL-FVAFFMJJSA-N. The full InChI is InChI=1S/C15H21N3O2.2ClH/c19-14(18-9-4-12-3-1-2-7-17-12)15-6-10-20-13(15)5-8-16-11-15;;/h1-3,7,13,16H,4-6,8-11H2,(H,18,19);2*1H/t13-,15-;;/m1../s1.
What are the key properties of (3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride?
(3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride has a molecular weight of 348.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride is sourced from PubChem (CID 155834162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).