[(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone

C17H20N4O3 — CID 97362824

IUPAC[(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CC[C@H]3OCC[C@@]3(c3nnc(C)o3)C2)cn1
InChIInChI=1S/C17H20N4O3/c1-11-3-4-13(9-18-11)15(22)21-7-5-14-17(10-21,6-8-23-14)16-20-19-12(2)24-16/h3-4,9,14H,5-8,10H2,1-2H3/t14-,17-/m1/s1
InChIKeyILTKCOTXYXAZRB-RHSMWYFYSA-N
MW328.37 g/mol
LogP1.65
Rot. Bonds2

About [(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone

[(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 97362824) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is [(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID97362824
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name[(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CC[C@H]3OCC[C@@]3(c3nnc(C)o3)C2)cn1
InChIInChI=1S/C17H20N4O3/c1-11-3-4-13(9-18-11)15(22)21-7-5-14-17(10-21,6-8-23-14)16-20-19-12(2)24-16/h3-4,9,14H,5-8,10H2,1-2H3/t14-,17-/m1/s1
InChIKeyILTKCOTXYXAZRB-RHSMWYFYSA-N
XLogP1.65
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone with MolForge

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Related Compounds

[(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 124810057
[(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(1-benzofuran-2-yl)methanone
CID 97362839
[(2R,5S)-2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-(6-methyl-3-pyridinyl)methanone
CID 97385823
(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 124811668
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 134689506
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
[(3aS,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(1-benzofuran-2-yl)methanone
CID 124806752
3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142818
[(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone
CID 97362754
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830

Frequently Asked Questions

What is the IUPAC name of [(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone (CID 97362824) is [(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CC[C@H]3OCC[C@@]3(c3nnc(C)o3)C2)cn1.
What is the InChIKey of [(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is ILTKCOTXYXAZRB-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-3-4-13(9-18-11)15(22)21-7-5-14-17(10-21,6-8-23-14)16-20-19-12(2)24-16/h3-4,9,14H,5-8,10H2,1-2H3/t14-,17-/m1/s1.
What are the key properties of [(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone?
[(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 328.37 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 97362824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).