(3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride

C14H20ClN3O2 — CID 154776385

IUPAC(3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccnc1)[C@@H]1CN[C@@H]2CCO[C@@H]2C1
InChIInChI=1S/C14H19N3O2.ClH/c18-14(17-8-10-2-1-4-15-7-10)11-6-13-12(16-9-11)3-5-19-13;/h1-2,4,7,11-13,16H,3,5-6,8-9H2,(H,17,18);1H/t11-,12+,13+;/m0./s1
InChIKeyDKAYTDBUQUHDKW-LUHWTZLKSA-N
MW297.79 g/mol
LogP0.89
Rot. Bonds3

About (3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride

(3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride (PubChem CID 154776385) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is (3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride
PubChem CID154776385
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name(3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccnc1)[C@@H]1CN[C@@H]2CCO[C@@H]2C1
InChIInChI=1S/C14H19N3O2.ClH/c18-14(17-8-10-2-1-4-15-7-10)11-6-13-12(16-9-11)3-5-19-13;/h1-2,4,7,11-13,16H,3,5-6,8-9H2,(H,17,18);1H/t11-,12+,13+;/m0./s1
InChIKeyDKAYTDBUQUHDKW-LUHWTZLKSA-N
XLogP0.89
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride with MolForge

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Related Compounds

(3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide
CID 154776386
(3aR,6S,7aR)-4-acetyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 155876280
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
(3aS,4S,7aS)-6-propan-2-yl-N-(pyridin-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97362902
(2S)-N-(pyridin-3-ylmethyl)-1,4-dioxane-2-carboxamide
CID 39890239
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119842424
(4R,4aR,8aR)-6-ethyl-N-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 134690561

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride?
The IUPAC name of (3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride (CID 154776385) is (3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride.
What is the SMILES notation for (3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride?
The canonical SMILES for (3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride is Cl.O=C(NCc1cccnc1)[C@@H]1CN[C@@H]2CCO[C@@H]2C1.
What is the InChIKey of (3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride?
The InChIKey is DKAYTDBUQUHDKW-LUHWTZLKSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c18-14(17-8-10-2-1-4-15-7-10)11-6-13-12(16-9-11)3-5-19-13;/h1-2,4,7,11-13,16H,3,5-6,8-9H2,(H,17,18);1H/t11-,12+,13+;/m0./s1.
What are the key properties of (3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride?
(3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7aR)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine-6-carboxamide;hydrochloride is sourced from PubChem (CID 154776385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).