[3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;propane

C28H41F3N2O3 — CID 143164038

About [3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;propane

[3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;propane (PubChem CID 143164038) has the molecular formula C28H41F3N2O3 and a molecular weight of 510.64 g/mol. Its IUPAC name is [3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;propane.

Molecular Properties

• Compound Name: [3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;propane
• PubChem CID: 143164038
• Molecular Formula: C28H41F3N2O3
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.31
• IUPAC Name: [3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;propane
• SMILES: CCC.CCOC1COCCC1NC1CCC(C(=O)N2CC=C(c3cccc(C(F)(F)F)c3)CC2)C1
• InChI: InChI=1S/C25H33F3N2O3.C3H8/c1-2-33-23-16-32-13-10-22(23)29-21-7-6-19(15-21)24(31)30-11-8-17(9-12-30)18-4-3-5-20(14-18)25(26,27)28;1-3-2/h3-5,8,14,19,21-23,29H,2,6-7,9-13,15-16H2,1H3;3H2,1-2H3
• InChIKey: MQYQAIFNNQHEKK-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;propane?

The IUPAC name of [3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;propane (CID 143164038) is [3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;propane.

What is the SMILES notation for [3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;propane?

The canonical SMILES for [3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;propane is CCC.CCOC1COCCC1NC1CCC(C(=O)N2CC=C(c3cccc(C(F)(F)F)c3)CC2)C1.

What is the InChIKey of [3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;propane?

The InChIKey is MQYQAIFNNQHEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N2O3.C3H8/c1-2-33-23-16-32-13-10-22(23)29-21-7-6-19(15-21)24(31)30-11-8-17(9-12-30)18-4-3-5-20(14-18)25(26,27)28;1-3-2/h3-5,8,14,19,21-23,29H,2,6-7,9-13,15-16H2,1H3;3H2,1-2H3.

What are the key properties of [3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;propane?

[3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;propane has a molecular weight of 510.64 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;propane is sourced from PubChem (CID 143164038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).