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

C48H71ClN14O8 — CID 161460258

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

tert-butyl N-[(3R,4R)-4-aminooxan-3-yl]carbamate;tert-butyl N-[(3R,4R)-4-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 161460258) has the molecular formula C48H71ClN14O8 and a molecular weight of 1007.64 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-4-aminooxan-3-yl]carbamate;tert-butyl N-[(3R,4R)-4-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: tert-butyl N-[(3R,4R)-4-aminooxan-3-yl]carbamate;tert-butyl N-[(3R,4R)-4-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide
• PubChem CID: 161460258
• Molecular Formula: C48H71ClN14O8
• Molecular Weight: 1007.64 g/mol
• Exact Mass: 1006.53
• IUPAC Name: tert-butyl N-[(3R,4R)-4-aminooxan-3-yl]carbamate;tert-butyl N-[(3R,4R)-4-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide
• SMILES: CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1N.CCCc1cc(C)cc(Nc2cc(Cl)nnc2C(N)=O)n1.CCCc1cc(C)cc(Nc2cc(N[C@@H]3CCOC[C@@H]3NC(=O)OC(C)(C)C)nnc2C(N)=O)n1
• InChI: InChI=1S/C24H35N7O4.C14H16ClN5O.C10H20N2O3/c1-6-7-15-10-14(2)11-19(26-15)28-17-12-20(30-31-21(17)22(25)32)27-16-8-9-34-13-18(16)29-23(33)35-24(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;1-10(2,3)15-9(13)12-8-6-14-5-4-7(8)11/h10-12,16,18H,6-9,13H2,1-5H3,(H2,25,32)(H,29,33)(H2,26,27,28,30);5-7H,3-4H2,1-2H3,(H2,16,21)(H,17,18,19);7-8H,4-6,11H2,1-3H3,(H,12,13)/t16-,18+;;7-,8+/m1.1/s1
• InChIKey: WBRXESBTZBRNHZ-INACRGHRSA-N
• XLogP: 6.32
• TPSA: 320.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1007.64
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[(3R,4R)-4-aminooxan-3-yl]carbamate;tert-butyl N-[(3R,4R)-4-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 161460258) is tert-butyl N-[(3R,4R)-4-aminooxan-3-yl]carbamate;tert-butyl N-[(3R,4R)-4-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

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

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

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

The InChIKey is WBRXESBTZBRNHZ-INACRGHRSA-N. The full InChI is InChI=1S/C24H35N7O4.C14H16ClN5O.C10H20N2O3/c1-6-7-15-10-14(2)11-19(26-15)28-17-12-20(30-31-21(17)22(25)32)27-16-8-9-34-13-18(16)29-23(33)35-24(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;1-10(2,3)15-9(13)12-8-6-14-5-4-7(8)11/h10-12,16,18H,6-9,13H2,1-5H3,(H2,25,32)(H,29,33)(H2,26,27,28,30);5-7H,3-4H2,1-2H3,(H2,16,21)(H,17,18,19);7-8H,4-6,11H2,1-3H3,(H,12,13)/t16-,18+;;7-,8+/m1.1/s1.

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

tert-butyl N-[(3R,4R)-4-aminooxan-3-yl]carbamate;tert-butyl N-[(3R,4R)-4-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 1007.64 g/mol, XLogP of 6.32, 14 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3R,4R)-4-aminooxan-3-yl]carbamate;tert-butyl N-[(3R,4R)-4-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 161460258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).