N-(cyclopropylmethyl)-N,5-dimethyl-6-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridin-3-amine;5-(4,4-difluoropiperidin-1-yl)-3-methyl-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridine;ethane;ethene

C44H66F2N10O2 — CID 164856790

About N-(cyclopropylmethyl)-N,5-dimethyl-6-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridin-3-amine;5-(4,4-difluoropiperidin-1-yl)-3-methyl-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridine;ethane;ethene

N-(cyclopropylmethyl)-N,5-dimethyl-6-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridin-3-amine;5-(4,4-difluoropiperidin-1-yl)-3-methyl-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridine;ethane;ethene (PubChem CID 164856790) has the molecular formula C44H66F2N10O2 and a molecular weight of 805.08 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N,5-dimethyl-6-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridin-3-amine;5-(4,4-difluoropiperidin-1-yl)-3-methyl-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridine;ethane;ethene.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-N,5-dimethyl-6-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridin-3-amine;5-(4,4-difluoropiperidin-1-yl)-3-methyl-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridine;ethane;ethene
• PubChem CID: 164856790
• Molecular Formula: C44H66F2N10O2
• Molecular Weight: 805.08 g/mol
• Exact Mass: 804.53
• IUPAC Name: N-(cyclopropylmethyl)-N,5-dimethyl-6-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridin-3-amine;5-(4,4-difluoropiperidin-1-yl)-3-methyl-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridine;ethane;ethene
• SMILES: C=C.C=C.CC.Cc1cc(N(C)CC2CC2)cnc1-c1cn(C[C@H]2CCCCO2)nn1.Cc1cc(N2CCC(F)(F)CC2)cnc1-c1cn(C[C@H]2CCCCO2)nn1
• InChI: InChI=1S/C19H25F2N5O.C19H27N5O.C2H6.2C2H4/c1-14-10-15(25-7-5-19(20,21)6-8-25)11-22-18(14)17-13-26(24-23-17)12-16-4-2-3-9-27-16;1-14-9-16(23(2)11-15-6-7-15)10-20-19(14)18-13-24(22-21-18)12-17-5-3-4-8-25-17;3*1-2/h10-11,13,16H,2-9,12H2,1H3;9-10,13,15,17H,3-8,11-12H2,1-2H3;1-2H3;2*1-2H2/t16-;17-;;;/m11.../s1
• InChIKey: AKCBZEVRRBDABH-FFXKPMAHSA-N
• XLogP: 9.15
• TPSA: 112.14 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	805.08
LogP ≤ 5	9.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N,5-dimethyl-6-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridin-3-amine;5-(4,4-difluoropiperidin-1-yl)-3-methyl-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridine;ethane;ethene?

The IUPAC name of N-(cyclopropylmethyl)-N,5-dimethyl-6-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridin-3-amine;5-(4,4-difluoropiperidin-1-yl)-3-methyl-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridine;ethane;ethene (CID 164856790) is N-(cyclopropylmethyl)-N,5-dimethyl-6-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridin-3-amine;5-(4,4-difluoropiperidin-1-yl)-3-methyl-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridine;ethane;ethene.

What is the SMILES notation for N-(cyclopropylmethyl)-N,5-dimethyl-6-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridin-3-amine;5-(4,4-difluoropiperidin-1-yl)-3-methyl-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridine;ethane;ethene?

The canonical SMILES for N-(cyclopropylmethyl)-N,5-dimethyl-6-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridin-3-amine;5-(4,4-difluoropiperidin-1-yl)-3-methyl-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridine;ethane;ethene is C=C.C=C.CC.Cc1cc(N(C)CC2CC2)cnc1-c1cn(C[C@H]2CCCCO2)nn1.Cc1cc(N2CCC(F)(F)CC2)cnc1-c1cn(C[C@H]2CCCCO2)nn1.

What is the InChIKey of N-(cyclopropylmethyl)-N,5-dimethyl-6-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridin-3-amine;5-(4,4-difluoropiperidin-1-yl)-3-methyl-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridine;ethane;ethene?

The InChIKey is AKCBZEVRRBDABH-FFXKPMAHSA-N. The full InChI is InChI=1S/C19H25F2N5O.C19H27N5O.C2H6.2C2H4/c1-14-10-15(25-7-5-19(20,21)6-8-25)11-22-18(14)17-13-26(24-23-17)12-16-4-2-3-9-27-16;1-14-9-16(23(2)11-15-6-7-15)10-20-19(14)18-13-24(22-21-18)12-17-5-3-4-8-25-17;3*1-2/h10-11,13,16H,2-9,12H2,1H3;9-10,13,15,17H,3-8,11-12H2,1-2H3;1-2H3;2*1-2H2/t16-;17-;;;/m11.../s1.

What are the key properties of N-(cyclopropylmethyl)-N,5-dimethyl-6-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridin-3-amine;5-(4,4-difluoropiperidin-1-yl)-3-methyl-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridine;ethane;ethene?

N-(cyclopropylmethyl)-N,5-dimethyl-6-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridin-3-amine;5-(4,4-difluoropiperidin-1-yl)-3-methyl-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridine;ethane;ethene has a molecular weight of 805.08 g/mol, XLogP of 9.15, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-N,5-dimethyl-6-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridin-3-amine;5-(4,4-difluoropiperidin-1-yl)-3-methyl-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridine;ethane;ethene is sourced from PubChem (CID 164856790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).