tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide

C50H75ClN14O6 — CID 159805262

About tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide

tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 159805262) has the molecular formula C50H75ClN14O6 and a molecular weight of 1003.69 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide
• PubChem CID: 159805262
• Molecular Formula: C50H75ClN14O6
• Molecular Weight: 1003.69 g/mol
• Exact Mass: 1002.57
• IUPAC Name: tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide
• SMILES: CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.CCCc1cc(C)cc(Nc2cc(Cl)nnc2C(N)=O)n1.CCCc1cc(C)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)nnc2C(N)=O)n1
• InChI: InChI=1S/C25H37N7O3.C14H16ClN5O.C11H22N2O2/c1-6-9-16-12-15(2)13-20(27-16)29-19-14-21(31-32-22(19)23(26)33)28-17-10-7-8-11-18(17)30-24(34)35-25(3,4)5;1-3-4-9-5-8(2)6-12(17-9)18-10-7-11(15)19-20-13(10)14(16)21;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h12-14,17-18H,6-11H2,1-5H3,(H2,26,33)(H,30,34)(H2,27,28,29,31);5-7H,3-4H2,1-2H3,(H2,16,21)(H,17,18,19);8-9H,4-7,12H2,1-3H3,(H,13,14)/t17-,18+;;8-,9+/m1.1/s1
• InChIKey: NKHQRDKEKFHZGJ-XKSJNOHHSA-N
• XLogP: 8.63
• TPSA: 302.29 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1003.69
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide?

The IUPAC name of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 159805262) is tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

What is the SMILES notation for tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide?

The canonical SMILES for tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide is CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.CCCc1cc(C)cc(Nc2cc(Cl)nnc2C(N)=O)n1.CCCc1cc(C)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)nnc2C(N)=O)n1.

What is the InChIKey of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide?

The InChIKey is NKHQRDKEKFHZGJ-XKSJNOHHSA-N. The full InChI is InChI=1S/C25H37N7O3.C14H16ClN5O.C11H22N2O2/c1-6-9-16-12-15(2)13-20(27-16)29-19-14-21(31-32-22(19)23(26)33)28-17-10-7-8-11-18(17)30-24(34)35-25(3,4)5;1-3-4-9-5-8(2)6-12(17-9)18-10-7-11(15)19-20-13(10)14(16)21;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h12-14,17-18H,6-11H2,1-5H3,(H2,26,33)(H,30,34)(H2,27,28,29,31);5-7H,3-4H2,1-2H3,(H2,16,21)(H,17,18,19);8-9H,4-7,12H2,1-3H3,(H,13,14)/t17-,18+;;8-,9+/m1.1/s1.

What are the key properties of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide?

tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 1003.69 g/mol, XLogP of 8.63, 14 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 159805262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).