5,6-dimethylpyridine-2-carboxamide;2-ethyloxetane;3-fluoro-4-[[6-[4-(2-methylprop-2-enyl)piperidin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile

C35H44FN5O3 — CID 177189846

About 5,6-dimethylpyridine-2-carboxamide;2-ethyloxetane;3-fluoro-4-[[6-[4-(2-methylprop-2-enyl)piperidin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile

5,6-dimethylpyridine-2-carboxamide;2-ethyloxetane;3-fluoro-4-[[6-[4-(2-methylprop-2-enyl)piperidin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile (PubChem CID 177189846) has the molecular formula C35H44FN5O3 and a molecular weight of 601.77 g/mol. Its IUPAC name is 5,6-dimethylpyridine-2-carboxamide;2-ethyloxetane;3-fluoro-4-[[6-[4-(2-methylprop-2-enyl)piperidin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile.

Molecular Properties

• Compound Name: 5,6-dimethylpyridine-2-carboxamide;2-ethyloxetane;3-fluoro-4-[[6-[4-(2-methylprop-2-enyl)piperidin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile
• PubChem CID: 177189846
• Molecular Formula: C35H44FN5O3
• Molecular Weight: 601.77 g/mol
• Exact Mass: 601.34
• IUPAC Name: 5,6-dimethylpyridine-2-carboxamide;2-ethyloxetane;3-fluoro-4-[[6-[4-(2-methylprop-2-enyl)piperidin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile
• SMILES: C=C(C)CC1CCN(c2cccc(OCc3ccc(C#N)cc3F)n2)CC1.CCC1CCO1.Cc1ccc(C(N)=O)nc1C
• InChI: InChI=1S/C22H24FN3O.C8H10N2O.C5H10O/c1-16(2)12-17-8-10-26(11-9-17)21-4-3-5-22(25-21)27-15-19-7-6-18(14-24)13-20(19)23;1-5-3-4-7(8(9)11)10-6(5)2;1-2-5-3-4-6-5/h3-7,13,17H,1,8-12,15H2,2H3;3-4H,1-2H3,(H2,9,11);5H,2-4H2,1H3
• InChIKey: DIZPXJJJFJMYRM-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 114.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.77
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylpyridine-2-carboxamide;2-ethyloxetane;3-fluoro-4-[[6-[4-(2-methylprop-2-enyl)piperidin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile?

The IUPAC name of 5,6-dimethylpyridine-2-carboxamide;2-ethyloxetane;3-fluoro-4-[[6-[4-(2-methylprop-2-enyl)piperidin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile (CID 177189846) is 5,6-dimethylpyridine-2-carboxamide;2-ethyloxetane;3-fluoro-4-[[6-[4-(2-methylprop-2-enyl)piperidin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile.

What is the SMILES notation for 5,6-dimethylpyridine-2-carboxamide;2-ethyloxetane;3-fluoro-4-[[6-[4-(2-methylprop-2-enyl)piperidin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile?

The canonical SMILES for 5,6-dimethylpyridine-2-carboxamide;2-ethyloxetane;3-fluoro-4-[[6-[4-(2-methylprop-2-enyl)piperidin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile is C=C(C)CC1CCN(c2cccc(OCc3ccc(C#N)cc3F)n2)CC1.CCC1CCO1.Cc1ccc(C(N)=O)nc1C.

What is the InChIKey of 5,6-dimethylpyridine-2-carboxamide;2-ethyloxetane;3-fluoro-4-[[6-[4-(2-methylprop-2-enyl)piperidin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile?

The InChIKey is DIZPXJJJFJMYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O.C8H10N2O.C5H10O/c1-16(2)12-17-8-10-26(11-9-17)21-4-3-5-22(25-21)27-15-19-7-6-18(14-24)13-20(19)23;1-5-3-4-7(8(9)11)10-6(5)2;1-2-5-3-4-6-5/h3-7,13,17H,1,8-12,15H2,2H3;3-4H,1-2H3,(H2,9,11);5H,2-4H2,1H3.

What are the key properties of 5,6-dimethylpyridine-2-carboxamide;2-ethyloxetane;3-fluoro-4-[[6-[4-(2-methylprop-2-enyl)piperidin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile?

5,6-dimethylpyridine-2-carboxamide;2-ethyloxetane;3-fluoro-4-[[6-[4-(2-methylprop-2-enyl)piperidin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile has a molecular weight of 601.77 g/mol, XLogP of 6.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dimethylpyridine-2-carboxamide;2-ethyloxetane;3-fluoro-4-[[6-[4-(2-methylprop-2-enyl)piperidin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile is sourced from PubChem (CID 177189846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).