tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-ethylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;1-ethylpiperidine;iodocopper

C57H81Cl5CuIN10O8 — CID 157456478

About tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-ethylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;1-ethylpiperidine;iodocopper

tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-ethylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;1-ethylpiperidine;iodocopper (PubChem CID 157456478) has the molecular formula C57H81Cl5CuIN10O8 and a molecular weight of 1402.05 g/mol. Its IUPAC name is tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-ethylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;1-ethylpiperidine;iodocopper.

Molecular Properties

• Compound Name: tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-ethylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;1-ethylpiperidine;iodocopper
• PubChem CID: 157456478
• Molecular Formula: C57H81Cl5CuIN10O8
• Molecular Weight: 1402.05 g/mol
• Exact Mass: 1398.30
• IUPAC Name: tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-ethylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;1-ethylpiperidine;iodocopper
• SMILES: CC(C)(C)OC(=O)c1cc(Cl)nc(Cl)c1.CC(C)(C)OC(=O)c1cc(Cl)nc(NC2CCC2)c1.CCN1CCCCC1.CCN1CCN(c2cc(C(=O)O)cc(NC3CCC3)n2)CC1.NC1CCC1.O=C(O)c1cc(Cl)nc(Cl)c1.[Cu]I
• InChI: InChI=1S/C16H24N4O2.C14H19ClN2O2.C10H11Cl2NO2.C7H15N.C6H3Cl2NO2.C4H9N.Cu.HI/c1-2-19-6-8-20(9-7-19)15-11-12(16(21)22)10-14(18-15)17-13-4-3-5-13;1-14(2,3)19-13(18)9-7-11(15)17-12(8-9)16-10-5-4-6-10;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;1-2-8-6-4-3-5-7-8;7-4-1-3(6(10)11)2-5(8)9-4;5-4-2-1-3-4;;/h10-11,13H,2-9H2,1H3,(H,17,18)(H,21,22);7-8,10H,4-6H2,1-3H3,(H,16,17);4-5H,1-3H3;2-7H2,1H3;1-2H,(H,10,11);4H,1-3,5H2;;1H/q;;;;;;+1;/p-1
• InChIKey: BTKJVPYQGZUWSL-UHFFFAOYSA-M
• XLogP: 13.84
• TPSA: 238.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1402.05
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-ethylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;1-ethylpiperidine;iodocopper?

The IUPAC name of tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-ethylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;1-ethylpiperidine;iodocopper (CID 157456478) is tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-ethylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;1-ethylpiperidine;iodocopper.

What is the SMILES notation for tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-ethylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;1-ethylpiperidine;iodocopper?

The canonical SMILES for tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-ethylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;1-ethylpiperidine;iodocopper is CC(C)(C)OC(=O)c1cc(Cl)nc(Cl)c1.CC(C)(C)OC(=O)c1cc(Cl)nc(NC2CCC2)c1.CCN1CCCCC1.CCN1CCN(c2cc(C(=O)O)cc(NC3CCC3)n2)CC1.NC1CCC1.O=C(O)c1cc(Cl)nc(Cl)c1.[Cu]I.

What is the InChIKey of tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-ethylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;1-ethylpiperidine;iodocopper?

The InChIKey is BTKJVPYQGZUWSL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H24N4O2.C14H19ClN2O2.C10H11Cl2NO2.C7H15N.C6H3Cl2NO2.C4H9N.Cu.HI/c1-2-19-6-8-20(9-7-19)15-11-12(16(21)22)10-14(18-15)17-13-4-3-5-13;1-14(2,3)19-13(18)9-7-11(15)17-12(8-9)16-10-5-4-6-10;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;1-2-8-6-4-3-5-7-8;7-4-1-3(6(10)11)2-5(8)9-4;5-4-2-1-3-4;;/h10-11,13H,2-9H2,1H3,(H,17,18)(H,21,22);7-8,10H,4-6H2,1-3H3,(H,16,17);4-5H,1-3H3;2-7H2,1H3;1-2H,(H,10,11);4H,1-3,5H2;;1H/q;;;;;;+1;/p-1.

What are the key properties of tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-ethylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;1-ethylpiperidine;iodocopper?

tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-ethylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;1-ethylpiperidine;iodocopper has a molecular weight of 1402.05 g/mol, XLogP of 13.84, 11 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-ethylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;1-ethylpiperidine;iodocopper is sourced from PubChem (CID 157456478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).