N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde

C57H65Cl2F3N12O9 — CID 158947924

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde (PubChem CID 158947924) has the molecular formula C57H65Cl2F3N12O9 and a molecular weight of 1191.13 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde
• PubChem CID: 158947924
• Molecular Formula: C57H65Cl2F3N12O9
• Molecular Weight: 1191.13 g/mol
• Exact Mass: 1189.44
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1nnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)o1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1nnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)o1.O=CC(F)(F)F.[2H]CC
• InChI: InChI=1S/C29H33ClN6O5.C24H25ClN6O3.C2HF3O.C2H6/c1-15-8-22(34-27(38)41-28(3,4)5)33-16(2)20(15)14-32-25(37)26-36-35-23(40-26)11-17-9-18-12-19(30)13-31-24(18)21(10-17)29(6,7)39;1-12-5-19(26)29-13(2)17(12)11-28-22(32)23-31-30-20(34-23)8-14-6-15-9-16(25)10-27-21(15)18(7-14)24(3,4)33;3-2(4,5)1-6;1-2/h8-10,12-13,39H,11,14H2,1-7H3,(H,32,37)(H,33,34,38);5-7,9-10,33H,8,11H2,1-4H3,(H2,26,29)(H,28,32);1H;1-2H3/i;;;1D
• InChIKey: JLBCFOBDRVNFQE-PBJKEDEQSA-N
• XLogP: 10.77
• TPSA: 309.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1191.13
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde (CID 158947924) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde is Cc1cc(N)nc(C)c1CNC(=O)c1nnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)o1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1nnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)o1.O=CC(F)(F)F.[2H]CC.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde?

The InChIKey is JLBCFOBDRVNFQE-PBJKEDEQSA-N. The full InChI is InChI=1S/C29H33ClN6O5.C24H25ClN6O3.C2HF3O.C2H6/c1-15-8-22(34-27(38)41-28(3,4)5)33-16(2)20(15)14-32-25(37)26-36-35-23(40-26)11-17-9-18-12-19(30)13-31-24(18)21(10-17)29(6,7)39;1-12-5-19(26)29-13(2)17(12)11-28-22(32)23-31-30-20(34-23)8-14-6-15-9-16(25)10-27-21(15)18(7-14)24(3,4)33;3-2(4,5)1-6;1-2/h8-10,12-13,39H,11,14H2,1-7H3,(H,32,37)(H,33,34,38);5-7,9-10,33H,8,11H2,1-4H3,(H2,26,29)(H,28,32);1H;1-2H3/i;;;1D.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde has a molecular weight of 1191.13 g/mol, XLogP of 10.77, 13 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158947924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).