N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline

C139H197F11N28O9 — CID 159848757

About N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline

N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline (PubChem CID 159848757) has the molecular formula C139H197F11N28O9 and a molecular weight of 2613.27 g/mol. Its IUPAC name is N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline.

Molecular Properties

• Compound Name: N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline
• PubChem CID: 159848757
• Molecular Formula: C139H197F11N28O9
• Molecular Weight: 2613.27 g/mol
• Exact Mass: 2611.56
• IUPAC Name: N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline
• SMILES: CC(C)(C)Nc1cccnc1OC(F)F.CC(C)Cc1cccn(C2CCCN(CCC#N)C2)c1=O.CC(C)Cc1cccn(C2CCN(CCC#N)CC2)c1=O.CC(C)Cc1cccn([C@@H]2CCCN(CCC#N)C2)c1=O.CC(C)Cc1cccn([C@H]2CCCN(CCC#N)C2)c1=O.CC(C)Nc1cc(F)cc(F)c1F.CC(C)Nc1cccn([C@@H]2CCN(CCC#N)C2)c1=O.CC(C)Nc1cccn([C@H]2CCN(CCC#N)C2)c1=O.CC(C)Nc1cccnc1OC(F)(F)F.CC(C)Nc1cccnc1OC1CN(CC(F)(F)F)C1
• InChI: InChI=1S/4C17H25N3O.2C15H22N4O.C13H18F3N3O.C10H14F2N2O.C9H11F3N2O.C9H10F3N/c3*1-14(2)12-15-6-3-11-20(17(15)21)16-7-4-9-19(13-16)10-5-8-18;1-14(2)13-15-5-3-10-20(17(15)21)16-6-11-19(12-7-16)9-4-8-18;2*1-12(2)17-14-5-3-9-19(15(14)20)13-6-10-18(11-13)8-4-7-16;1-9(2)18-11-4-3-5-17-12(11)20-10-6-19(7-10)8-13(14,15)16;1-10(2,3)14-7-5-4-6-13-8(7)15-9(11)12;1-6(2)14-7-4-3-5-13-8(7)15-9(10,11)12;1-5(2)13-8-4-6(10)3-7(11)9(8)12/h3*3,6,11,14,16H,4-5,7,9-10,12-13H2,1-2H3;3,5,10,14,16H,4,6-7,9,11-13H2,1-2H3;2*3,5,9,12-13,17H,4,6,8,10-11H2,1-2H3;3-5,9-10,18H,6-8H2,1-2H3;4-6,9,14H,1-3H3;3-6,14H,1-2H3;3-5,13H,1-2H3/t2*16-;;;2*13-;;;;/m10..10..../s1
• InChIKey: NPQNFQYGGXBUKK-SJVMPBCYSA-N
• XLogP: 25.19
• TPSA: 435.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 43
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2613.27
LogP ≤ 5	25.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline?

The IUPAC name of N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline (CID 159848757) is N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline.

What is the SMILES notation for N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline?

The canonical SMILES for N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline is CC(C)(C)Nc1cccnc1OC(F)F.CC(C)Cc1cccn(C2CCCN(CCC#N)C2)c1=O.CC(C)Cc1cccn(C2CCN(CCC#N)CC2)c1=O.CC(C)Cc1cccn([C@@H]2CCCN(CCC#N)C2)c1=O.CC(C)Cc1cccn([C@H]2CCCN(CCC#N)C2)c1=O.CC(C)Nc1cc(F)cc(F)c1F.CC(C)Nc1cccn([C@@H]2CCN(CCC#N)C2)c1=O.CC(C)Nc1cccn([C@H]2CCN(CCC#N)C2)c1=O.CC(C)Nc1cccnc1OC(F)(F)F.CC(C)Nc1cccnc1OC1CN(CC(F)(F)F)C1.

What is the InChIKey of N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline?

The InChIKey is NPQNFQYGGXBUKK-SJVMPBCYSA-N. The full InChI is InChI=1S/4C17H25N3O.2C15H22N4O.C13H18F3N3O.C10H14F2N2O.C9H11F3N2O.C9H10F3N/c3*1-14(2)12-15-6-3-11-20(17(15)21)16-7-4-9-19(13-16)10-5-8-18;1-14(2)13-15-5-3-10-20(17(15)21)16-6-11-19(12-7-16)9-4-8-18;2*1-12(2)17-14-5-3-9-19(15(14)20)13-6-10-18(11-13)8-4-7-16;1-9(2)18-11-4-3-5-17-12(11)20-10-6-19(7-10)8-13(14,15)16;1-10(2,3)14-7-5-4-6-13-8(7)15-9(11)12;1-6(2)14-7-4-3-5-13-8(7)15-9(10,11)12;1-5(2)13-8-4-6(10)3-7(11)9(8)12/h3*3,6,11,14,16H,4-5,7,9-10,12-13H2,1-2H3;3,5,10,14,16H,4,6-7,9,11-13H2,1-2H3;2*3,5,9,12-13,17H,4,6,8,10-11H2,1-2H3;3-5,9-10,18H,6-8H2,1-2H3;4-6,9,14H,1-3H3;3-6,14H,1-2H3;3-5,13H,1-2H3/t2*16-;;;2*13-;;;;/m10..10..../s1.

What are the key properties of N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline?

N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline has a molecular weight of 2613.27 g/mol, XLogP of 25.19, 43 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline is sourced from PubChem (CID 159848757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).