(3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]methanone

C19H21F5N6O — CID 167042438

About (3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]methanone

(3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 167042438) has the molecular formula C19H21F5N6O and a molecular weight of 444.41 g/mol. Its IUPAC name is (3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]methanone
• PubChem CID: 167042438
• Molecular Formula: C19H21F5N6O
• Molecular Weight: 444.41 g/mol
• Exact Mass: 444.17
• IUPAC Name: (3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]methanone
• SMILES: Cc1ccc(N)c(C(=O)N2CC(F)(F)CC(C)C2CNc2cnc(C(F)(F)F)cn2)n1
• InChI: InChI=1S/C19H21F5N6O/c1-10-5-18(20,21)9-30(17(31)16-12(25)4-3-11(2)29-16)13(10)6-27-15-8-26-14(7-28-15)19(22,23)24/h3-4,7-8,10,13H,5-6,9,25H2,1-2H3,(H,27,28)
• InChIKey: MYCUPCDSOWXTNH-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 97.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.41
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]methanone?

The IUPAC name of (3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]methanone (CID 167042438) is (3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]methanone.

What is the SMILES notation for (3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]methanone?

The canonical SMILES for (3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]methanone is Cc1ccc(N)c(C(=O)N2CC(F)(F)CC(C)C2CNc2cnc(C(F)(F)F)cn2)n1.

What is the InChIKey of (3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]methanone?

The InChIKey is MYCUPCDSOWXTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F5N6O/c1-10-5-18(20,21)9-30(17(31)16-12(25)4-3-11(2)29-16)13(10)6-27-15-8-26-14(7-28-15)19(22,23)24/h3-4,7-8,10,13H,5-6,9,25H2,1-2H3,(H,27,28).

What are the key properties of (3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]methanone?

(3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]methanone has a molecular weight of 444.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-6-methyl-2-pyridinyl)-[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 167042438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).