(6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone

C17H20N4O2 — CID 146112892

IUPAC(6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone
SMILESCCc1cccc(C(=O)N2CC[C@@H]3CC[C@@]32c2nnc(C)o2)n1
InChIInChI=1S/C17H20N4O2/c1-3-13-5-4-6-14(18-13)15(22)21-10-8-12-7-9-17(12,21)16-20-19-11(2)23-16/h4-6,12H,3,7-10H2,1-2H3/t12-,17-/m0/s1
InChIKeyHSPACTOBGBLIIV-SJCJKPOMSA-N
MW312.37 g/mol
LogP2.49
Rot. Bonds3

About (6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone

(6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone (PubChem CID 146112892) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone.

Molecular Properties

Compound Name(6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone
PubChem CID146112892
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone
SMILESCCc1cccc(C(=O)N2CC[C@@H]3CC[C@@]32c2nnc(C)o2)n1
InChIInChI=1S/C17H20N4O2/c1-3-13-5-4-6-14(18-13)15(22)21-10-8-12-7-9-17(12,21)16-20-19-11(2)23-16/h4-6,12H,3,7-10H2,1-2H3/t12-,17-/m0/s1
InChIKeyHSPACTOBGBLIIV-SJCJKPOMSA-N
XLogP2.49
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone?
The IUPAC name of (6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone (CID 146112892) is (6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone.
What is the SMILES notation for (6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone?
The canonical SMILES for (6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone is CCc1cccc(C(=O)N2CC[C@@H]3CC[C@@]32c2nnc(C)o2)n1.
What is the InChIKey of (6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone?
The InChIKey is HSPACTOBGBLIIV-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-13-5-4-6-14(18-13)15(22)21-10-8-12-7-9-17(12,21)16-20-19-11(2)23-16/h4-6,12H,3,7-10H2,1-2H3/t12-,17-/m0/s1.
What are the key properties of (6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone?
(6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone has a molecular weight of 312.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone is sourced from PubChem (CID 146112892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).