N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride

C13H19Cl2N3O2 — CID 127021534

IUPACN-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(N[C@@H]1CN[C@H]2CCCO[C@H]21)c1cccnc1
InChIInChI=1S/C13H17N3O2.2ClH/c17-13(9-3-1-5-14-7-9)16-11-8-15-10-4-2-6-18-12(10)11;;/h1,3,5,7,10-12,15H,2,4,6,8H2,(H,16,17);2*1H/t10-,11+,12+;;/m0../s1
InChIKeySTOPXQHOTBPKKC-MHIKFBLOSA-N
MW320.22 g/mol
LogP1.17
Rot. Bonds2

About N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride

N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 127021534) has the molecular formula C13H19Cl2N3O2 and a molecular weight of 320.22 g/mol. Its IUPAC name is N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride
PubChem CID127021534
Molecular FormulaC13H19Cl2N3O2
Molecular Weight320.22 g/mol
Exact Mass319.09
IUPAC NameN-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(N[C@@H]1CN[C@H]2CCCO[C@H]21)c1cccnc1
InChIInChI=1S/C13H17N3O2.2ClH/c17-13(9-3-1-5-14-7-9)16-11-8-15-10-4-2-6-18-12(10)11;;/h1,3,5,7,10-12,15H,2,4,6,8H2,(H,16,17);2*1H/t10-,11+,12+;;/m0../s1
InChIKeySTOPXQHOTBPKKC-MHIKFBLOSA-N
XLogP1.17
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;hydrochloride
CID 127021159
N-[(3S,3aS,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide
CID 97379878
N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-3-carboxamide
CID 97364559
N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride
CID 155843708
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide
CID 133145197
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 171149979
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
CID 125073491
N-(oxetan-3-yl)pyridine-3-carboxamide
CID 66910448

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride (CID 127021534) is N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(N[C@@H]1CN[C@H]2CCCO[C@H]21)c1cccnc1.
What is the InChIKey of N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is STOPXQHOTBPKKC-MHIKFBLOSA-N. The full InChI is InChI=1S/C13H17N3O2.2ClH/c17-13(9-3-1-5-14-7-9)16-11-8-15-10-4-2-6-18-12(10)11;;/h1,3,5,7,10-12,15H,2,4,6,8H2,(H,16,17);2*1H/t10-,11+,12+;;/m0../s1.
What are the key properties of N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride?
N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 320.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 127021534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).