5-methyl-N-[2-(6-methyl-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)-4-pyridinyl]oxolane-2-carboxamide

C17H22N4O3 — CID 166160824

IUPAC5-methyl-N-[2-(6-methyl-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)-4-pyridinyl]oxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(N3CC4CC(C3=O)N4C)c2)O1
InChIInChI=1S/C17H22N4O3/c1-10-3-4-14(24-10)16(22)19-11-5-6-18-15(7-11)21-9-12-8-13(17(21)23)20(12)2/h5-7,10,12-14H,3-4,8-9H2,1-2H3,(H,18,19,22)
InChIKeyQDURQLSDSGVUOE-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.01
Rot. Bonds3

About 5-methyl-N-[2-(6-methyl-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)-4-pyridinyl]oxolane-2-carboxamide

5-methyl-N-[2-(6-methyl-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)-4-pyridinyl]oxolane-2-carboxamide (PubChem CID 166160824) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-methyl-N-[2-(6-methyl-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)-4-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(6-methyl-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)-4-pyridinyl]oxolane-2-carboxamide
PubChem CID166160824
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name5-methyl-N-[2-(6-methyl-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)-4-pyridinyl]oxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(N3CC4CC(C3=O)N4C)c2)O1
InChIInChI=1S/C17H22N4O3/c1-10-3-4-14(24-10)16(22)19-11-5-6-18-15(7-11)21-9-12-8-13(17(21)23)20(12)2/h5-7,10,12-14H,3-4,8-9H2,1-2H3,(H,18,19,22)
InChIKeyQDURQLSDSGVUOE-UHFFFAOYSA-N
XLogP1.01
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(6-methyl-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)-4-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(6-methyl-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)-4-pyridinyl]oxolane-2-carboxamide (CID 166160824) is 5-methyl-N-[2-(6-methyl-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)-4-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(6-methyl-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)-4-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(6-methyl-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)-4-pyridinyl]oxolane-2-carboxamide is CC1CCC(C(=O)Nc2ccnc(N3CC4CC(C3=O)N4C)c2)O1.
What is the InChIKey of 5-methyl-N-[2-(6-methyl-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)-4-pyridinyl]oxolane-2-carboxamide?
The InChIKey is QDURQLSDSGVUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10-3-4-14(24-10)16(22)19-11-5-6-18-15(7-11)21-9-12-8-13(17(21)23)20(12)2/h5-7,10,12-14H,3-4,8-9H2,1-2H3,(H,18,19,22).
What are the key properties of 5-methyl-N-[2-(6-methyl-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)-4-pyridinyl]oxolane-2-carboxamide?
5-methyl-N-[2-(6-methyl-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)-4-pyridinyl]oxolane-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(6-methyl-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)-4-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 166160824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).