N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide

C27H33F3N4O2 — CID 145383346

About N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide

N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide (PubChem CID 145383346) has the molecular formula C27H33F3N4O2 and a molecular weight of 502.58 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide
• PubChem CID: 145383346
• Molecular Formula: C27H33F3N4O2
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.26
• IUPAC Name: N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide
• SMILES: CCC#C/C=C(/CC)N(C)c1ncc(C)cc1C(=O)N(CC)C(C)COc1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C27H33F3N4O2/c1-7-10-11-12-22(8-2)33(6)25-23(15-19(4)16-32-25)26(35)34(9-3)20(5)18-36-24-14-13-21(17-31-24)27(28,29)30/h12-17,20H,7-9,18H2,1-6H3/b22-12-
• InChIKey: SVEVOZBBQHHKSM-UUYOSTAYSA-N
• XLogP: 5.88
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.58
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide?

The IUPAC name of N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide (CID 145383346) is N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide?

The canonical SMILES for N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide is CCC#C/C=C(/CC)N(C)c1ncc(C)cc1C(=O)N(CC)C(C)COc1ccc(C(F)(F)F)cn1.

What is the InChIKey of N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide?

The InChIKey is SVEVOZBBQHHKSM-UUYOSTAYSA-N. The full InChI is InChI=1S/C27H33F3N4O2/c1-7-10-11-12-22(8-2)33(6)25-23(15-19(4)16-32-25)26(35)34(9-3)20(5)18-36-24-14-13-21(17-31-24)27(28,29)30/h12-17,20H,7-9,18H2,1-6H3/b22-12-.

What are the key properties of N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide?

N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide has a molecular weight of 502.58 g/mol, XLogP of 5.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 145383346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).