[3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[5-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone

C26H36F3N3O3 — CID 76621490

About [3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[5-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone

[3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[5-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 76621490) has the molecular formula C26H36F3N3O3 and a molecular weight of 495.59 g/mol. Its IUPAC name is [3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[5-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[5-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
• PubChem CID: 76621490
• Molecular Formula: C26H36F3N3O3
• Molecular Weight: 495.59 g/mol
• Exact Mass: 495.27
• IUPAC Name: [3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[5-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
• SMILES: COC1COCCC1NC1CCC(C(=O)N2CC=C(c3cncc(C(F)(F)F)c3)CC2)(C(C)C)C1
• InChI: InChI=1S/C26H36F3N3O3/c1-17(2)25(8-4-21(13-25)31-22-7-11-35-16-23(22)34-3)24(33)32-9-5-18(6-10-32)19-12-20(15-30-14-19)26(27,28)29/h5,12,14-15,17,21-23,31H,4,6-11,13,16H2,1-3H3
• InChIKey: UZLXGDMCEVUVQI-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.59
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[5-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?

The IUPAC name of [3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[5-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 76621490) is [3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[5-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone.

What is the SMILES notation for [3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[5-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?

The canonical SMILES for [3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[5-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone is COC1COCCC1NC1CCC(C(=O)N2CC=C(c3cncc(C(F)(F)F)c3)CC2)(C(C)C)C1.

What is the InChIKey of [3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[5-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?

The InChIKey is UZLXGDMCEVUVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36F3N3O3/c1-17(2)25(8-4-21(13-25)31-22-7-11-35-16-23(22)34-3)24(33)32-9-5-18(6-10-32)19-12-20(15-30-14-19)26(27,28)29/h5,12,14-15,17,21-23,31H,4,6-11,13,16H2,1-3H3.

What are the key properties of [3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[5-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?

[3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[5-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 495.59 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[5-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 76621490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).