tris(3-cyclopropyl-N,1-dimethylpyrazol-5-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;methane;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methoxypyridine-4-carboxylate;heptakis(N-methyl-3-(methylamino)benzamide)

C128H182BrN35O13 — CID 158364302

About tris(3-cyclopropyl-N,1-dimethylpyrazol-5-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;methane;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methoxypyridine-4-carboxylate;heptakis(N-methyl-3-(methylamino)benzamide)

tris(3-cyclopropyl-N,1-dimethylpyrazol-5-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;methane;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methoxypyridine-4-carboxylate;heptakis(N-methyl-3-(methylamino)benzamide) (PubChem CID 158364302) has the molecular formula C128H182BrN35O13 and a molecular weight of 2499.00 g/mol. Its IUPAC name is tris(3-cyclopropyl-N,1-dimethylpyrazol-5-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;methane;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methoxypyridine-4-carboxylate;heptakis(N-methyl-3-(methylamino)benzamide).

Molecular Properties

• Compound Name: tris(3-cyclopropyl-N,1-dimethylpyrazol-5-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;methane;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methoxypyridine-4-carboxylate;heptakis(N-methyl-3-(methylamino)benzamide)
• PubChem CID: 158364302
• Molecular Formula: C128H182BrN35O13
• Molecular Weight: 2499.00 g/mol
• Exact Mass: 2496.38
• IUPAC Name: tris(3-cyclopropyl-N,1-dimethylpyrazol-5-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;methane;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methoxypyridine-4-carboxylate;heptakis(N-methyl-3-(methylamino)benzamide)
• SMILES: C.C.C.CCc1cc(C(=O)OC)cc(Br)n1.CCc1cc(C(=O)OC)cc(OC)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.CNC(=O)c1cccc(NC)c1.CNc1cc(-c2nnnn2C)cc(C)n1.CNc1cc(-c2noc(C)n2)cc(C)n1.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C
• InChI: InChI=1S/C10H12N4O.C10H13NO3.C9H10BrNO2.C9H12N6.7C9H12N2O.3C8H13N3.3CH4/c1-6-4-8(5-9(11-3)12-6)10-13-7(2)15-14-10;1-4-8-5-7(10(12)14-3)6-9(11-8)13-2;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;7*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;;;/h4-5H,1-3H3,(H,11,12);5-6H,4H2,1-3H3;4-5H,3H2,1-2H3;4-5H,1-3H3,(H,10,11);7*3-6,10H,1-2H3,(H,11,12);3*5-6,9H,3-4H2,1-2H3;3*1H4
• InChIKey: GTVMGKCSJOIIFI-UHFFFAOYSA-N
• XLogP: 19.59
• TPSA: 597.43 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 41
• Rotatable Bonds: 29
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2499.00
LogP ≤ 5	19.59
H-Bond Donors ≤ 5	19
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);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;methane;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methoxypyridine-4-carboxylate;heptakis(N-methyl-3-(methylamino)benzamide)?

The IUPAC name of tris(3-cyclopropyl-N,1-dimethylpyrazol-5-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;methane;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methoxypyridine-4-carboxylate;heptakis(N-methyl-3-(methylamino)benzamide) (CID 158364302) is tris(3-cyclopropyl-N,1-dimethylpyrazol-5-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;methane;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methoxypyridine-4-carboxylate;heptakis(N-methyl-3-(methylamino)benzamide).

What is the SMILES notation for tris(3-cyclopropyl-N,1-dimethylpyrazol-5-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;methane;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methoxypyridine-4-carboxylate;heptakis(N-methyl-3-(methylamino)benzamide)?

The canonical SMILES for tris(3-cyclopropyl-N,1-dimethylpyrazol-5-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;methane;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methoxypyridine-4-carboxylate;heptakis(N-methyl-3-(methylamino)benzamide) is C.C.C.CCc1cc(C(=O)OC)cc(Br)n1.CCc1cc(C(=O)OC)cc(OC)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.CNC(=O)c1cccc(NC)c1.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);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;methane;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methoxypyridine-4-carboxylate;heptakis(N-methyl-3-(methylamino)benzamide)?

The InChIKey is GTVMGKCSJOIIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O.C10H13NO3.C9H10BrNO2.C9H12N6.7C9H12N2O.3C8H13N3.3CH4/c1-6-4-8(5-9(11-3)12-6)10-13-7(2)15-14-10;1-4-8-5-7(10(12)14-3)6-9(11-8)13-2;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;7*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;;;/h4-5H,1-3H3,(H,11,12);5-6H,4H2,1-3H3;4-5H,3H2,1-2H3;4-5H,1-3H3,(H,10,11);7*3-6,10H,1-2H3,(H,11,12);3*5-6,9H,3-4H2,1-2H3;3*1H4.

What are the key properties of tris(3-cyclopropyl-N,1-dimethylpyrazol-5-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;methane;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methoxypyridine-4-carboxylate;heptakis(N-methyl-3-(methylamino)benzamide)?

tris(3-cyclopropyl-N,1-dimethylpyrazol-5-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;methane;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methoxypyridine-4-carboxylate;heptakis(N-methyl-3-(methylamino)benzamide) has a molecular weight of 2499.00 g/mol, XLogP of 19.59, 29 rotatable bonds, 19 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);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;methane;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methoxypyridine-4-carboxylate;heptakis(N-methyl-3-(methylamino)benzamide) is sourced from PubChem (CID 158364302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).