tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);4-(2,4-dimethylfuran-3-yl)-N-methylpyridin-2-amine;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;hexakis(N-methyl-3-(methylamino)benzamide)

C128H172BrN35O12 — CID 159874065

About tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);4-(2,4-dimethylfuran-3-yl)-N-methylpyridin-2-amine;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;hexakis(N-methyl-3-(methylamino)benzamide)

tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);4-(2,4-dimethylfuran-3-yl)-N-methylpyridin-2-amine;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;hexakis(N-methyl-3-(methylamino)benzamide) (PubChem CID 159874065) has the molecular formula C128H172BrN35O12 and a molecular weight of 2472.92 g/mol. Its IUPAC name is tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);4-(2,4-dimethylfuran-3-yl)-N-methylpyridin-2-amine;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;hexakis(N-methyl-3-(methylamino)benzamide).

Molecular Properties

• Compound Name: tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);4-(2,4-dimethylfuran-3-yl)-N-methylpyridin-2-amine;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;hexakis(N-methyl-3-(methylamino)benzamide)
• PubChem CID: 159874065
• Molecular Formula: C128H172BrN35O12
• Molecular Weight: 2472.92 g/mol
• Exact Mass: 2470.31
• IUPAC Name: tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);4-(2,4-dimethylfuran-3-yl)-N-methylpyridin-2-amine;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;hexakis(N-methyl-3-(methylamino)benzamide)
• SMILES: CCc1cc(C(=O)OC)cc(Br)n1.CCc1cc(C(=O)OC)cc(C)n1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(-c2c(C)coc2C)ccn1.CNc1cc(-c2nnnn2C)cc(C)n1.CNc1cc(-c2noc(C)n2)cc(C)n1.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C
• InChI: InChI=1S/C12H14N2O.C10H12N4O.C10H13NO2.C9H10BrNO2.C9H12N6.6C9H12N2O.3C8H13N3/c1-8-7-15-9(2)12(8)10-4-5-14-11(6-10)13-3;1-6-4-8(5-9(11-3)12-6)10-13-7(2)15-14-10;1-4-9-6-8(10(12)13-3)5-7(2)11-9;1-3-7-4-6(9(12)13-2)5-8(10)11-7;1-6-4-7(5-8(10-2)11-6)9-12-13-14-15(9)3;6*1-10-8-5-3-4-7(6-8)9(12)11-2;3*1-9-8-5-7(6-3-4-6)10-11(8)2/h4-7H,1-3H3,(H,13,14);4-5H,1-3H3,(H,11,12);5-6H,4H2,1-3H3;4-5H,3H2,1-2H3;4-5H,1-3H3,(H,10,11);6*3-6,10H,1-2H3,(H,11,12);3*5-6,9H,3-4H2,1-2H3
• InChIKey: NSRDSEXQHZZDRC-UHFFFAOYSA-N
• XLogP: 19.89
• TPSA: 585.13 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 41
• Rotatable Bonds: 28
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2472.92
LogP ≤ 5	19.89
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);4-(2,4-dimethylfuran-3-yl)-N-methylpyridin-2-amine;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;hexakis(N-methyl-3-(methylamino)benzamide)?

The IUPAC name of tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);4-(2,4-dimethylfuran-3-yl)-N-methylpyridin-2-amine;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;hexakis(N-methyl-3-(methylamino)benzamide) (CID 159874065) is tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);4-(2,4-dimethylfuran-3-yl)-N-methylpyridin-2-amine;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;hexakis(N-methyl-3-(methylamino)benzamide).

What is the SMILES notation for tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);4-(2,4-dimethylfuran-3-yl)-N-methylpyridin-2-amine;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;hexakis(N-methyl-3-(methylamino)benzamide)?

The canonical SMILES for tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);4-(2,4-dimethylfuran-3-yl)-N-methylpyridin-2-amine;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;hexakis(N-methyl-3-(methylamino)benzamide) is CCc1cc(C(=O)OC)cc(Br)n1.CCc1cc(C(=O)OC)cc(C)n1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(-c2c(C)coc2C)ccn1.CNc1cc(-c2nnnn2C)cc(C)n1.CNc1cc(-c2noc(C)n2)cc(C)n1.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.

What is the InChIKey of tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);4-(2,4-dimethylfuran-3-yl)-N-methylpyridin-2-amine;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;hexakis(N-methyl-3-(methylamino)benzamide)?

The InChIKey is NSRDSEXQHZZDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C10H12N4O.C10H13NO2.C9H10BrNO2.C9H12N6.6C9H12N2O.3C8H13N3/c1-8-7-15-9(2)12(8)10-4-5-14-11(6-10)13-3;1-6-4-8(5-9(11-3)12-6)10-13-7(2)15-14-10;1-4-9-6-8(10(12)13-3)5-7(2)11-9;1-3-7-4-6(9(12)13-2)5-8(10)11-7;1-6-4-7(5-8(10-2)11-6)9-12-13-14-15(9)3;6*1-10-8-5-3-4-7(6-8)9(12)11-2;3*1-9-8-5-7(6-3-4-6)10-11(8)2/h4-7H,1-3H3,(H,13,14);4-5H,1-3H3,(H,11,12);5-6H,4H2,1-3H3;4-5H,3H2,1-2H3;4-5H,1-3H3,(H,10,11);6*3-6,10H,1-2H3,(H,11,12);3*5-6,9H,3-4H2,1-2H3.

What are the key properties of tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);4-(2,4-dimethylfuran-3-yl)-N-methylpyridin-2-amine;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;hexakis(N-methyl-3-(methylamino)benzamide)?

tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);4-(2,4-dimethylfuran-3-yl)-N-methylpyridin-2-amine;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;hexakis(N-methyl-3-(methylamino)benzamide) has a molecular weight of 2472.92 g/mol, XLogP of 19.89, 28 rotatable bonds, 18 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);4-(2,4-dimethylfuran-3-yl)-N-methylpyridin-2-amine;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;hexakis(N-methyl-3-(methylamino)benzamide) is sourced from PubChem (CID 159874065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).