tert-butyl N-[5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]carbamate;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-amine;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-4-carboxylic acid;(1R,4R)-2-(5-chloro-2-pyridinyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

C50H66Cl4N14O4 — CID 162039718

About tert-butyl N-[5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]carbamate;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-amine;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-4-carboxylic acid;(1R,4R)-2-(5-chloro-2-pyridinyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

tert-butyl N-[5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]carbamate;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-amine;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-4-carboxylic acid;(1R,4R)-2-(5-chloro-2-pyridinyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 162039718) has the molecular formula C50H66Cl4N14O4 and a molecular weight of 1068.98 g/mol. Its IUPAC name is tert-butyl N-[5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]carbamate;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-amine;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-4-carboxylic acid;(1R,4R)-2-(5-chloro-2-pyridinyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

• Compound Name: tert-butyl N-[5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]carbamate;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-amine;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-4-carboxylic acid;(1R,4R)-2-(5-chloro-2-pyridinyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
• PubChem CID: 162039718
• Molecular Formula: C50H66Cl4N14O4
• Molecular Weight: 1068.98 g/mol
• Exact Mass: 1066.41
• IUPAC Name: tert-butyl N-[5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]carbamate;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-amine;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-4-carboxylic acid;(1R,4R)-2-(5-chloro-2-pyridinyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
• SMILES: CN1C[C@H]2C[C@@H]1CN2c1cc(C(=O)O)c(Cl)cn1.CN1C[C@H]2C[C@@H]1CN2c1cc(N)c(Cl)cn1.CN1C[C@H]2C[C@@H]1CN2c1cc(NC(=O)OC(C)(C)C)c(Cl)cn1.CN1C[C@H]2C[C@@H]1CN2c1ccc(Cl)cn1
• InChI: InChI=1S/C16H23ClN4O2.C12H14ClN3O2.C11H15ClN4.C11H14ClN3/c1-16(2,3)23-15(22)19-13-6-14(18-7-12(13)17)21-9-10-5-11(21)8-20(10)4;1-15-5-8-2-7(15)6-16(8)11-3-9(12(17)18)10(13)4-14-11;1-15-5-8-2-7(15)6-16(8)11-3-10(13)9(12)4-14-11;1-14-6-10-4-9(14)7-15(10)11-3-2-8(12)5-13-11/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,19,22);3-4,7-8H,2,5-6H2,1H3,(H,17,18);3-4,7-8H,2,5-6H2,1H3,(H2,13,14);2-3,5,9-10H,4,6-7H2,1H3/t10-,11-;2*7-,8-;9-,10-/m1111/s1
• InChIKey: YXCNUCXWRGZSDS-LLJFQERYSA-N
• XLogP: 7.14
• TPSA: 179.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1068.98
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]carbamate;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-amine;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-4-carboxylic acid;(1R,4R)-2-(5-chloro-2-pyridinyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?

The IUPAC name of tert-butyl N-[5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]carbamate;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-amine;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-4-carboxylic acid;(1R,4R)-2-(5-chloro-2-pyridinyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 162039718) is tert-butyl N-[5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]carbamate;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-amine;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-4-carboxylic acid;(1R,4R)-2-(5-chloro-2-pyridinyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.

What is the SMILES notation for tert-butyl N-[5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]carbamate;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-amine;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-4-carboxylic acid;(1R,4R)-2-(5-chloro-2-pyridinyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?

The canonical SMILES for tert-butyl N-[5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]carbamate;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-amine;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-4-carboxylic acid;(1R,4R)-2-(5-chloro-2-pyridinyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is CN1C[C@H]2C[C@@H]1CN2c1cc(C(=O)O)c(Cl)cn1.CN1C[C@H]2C[C@@H]1CN2c1cc(N)c(Cl)cn1.CN1C[C@H]2C[C@@H]1CN2c1cc(NC(=O)OC(C)(C)C)c(Cl)cn1.CN1C[C@H]2C[C@@H]1CN2c1ccc(Cl)cn1.

What is the InChIKey of tert-butyl N-[5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]carbamate;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-amine;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-4-carboxylic acid;(1R,4R)-2-(5-chloro-2-pyridinyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?

The InChIKey is YXCNUCXWRGZSDS-LLJFQERYSA-N. The full InChI is InChI=1S/C16H23ClN4O2.C12H14ClN3O2.C11H15ClN4.C11H14ClN3/c1-16(2,3)23-15(22)19-13-6-14(18-7-12(13)17)21-9-10-5-11(21)8-20(10)4;1-15-5-8-2-7(15)6-16(8)11-3-9(12(17)18)10(13)4-14-11;1-15-5-8-2-7(15)6-16(8)11-3-10(13)9(12)4-14-11;1-14-6-10-4-9(14)7-15(10)11-3-2-8(12)5-13-11/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,19,22);3-4,7-8H,2,5-6H2,1H3,(H,17,18);3-4,7-8H,2,5-6H2,1H3,(H2,13,14);2-3,5,9-10H,4,6-7H2,1H3/t10-,11-;2*7-,8-;9-,10-/m1111/s1.

What are the key properties of tert-butyl N-[5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]carbamate;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-amine;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-4-carboxylic acid;(1R,4R)-2-(5-chloro-2-pyridinyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?

tert-butyl N-[5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]carbamate;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-amine;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-4-carboxylic acid;(1R,4R)-2-(5-chloro-2-pyridinyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 1068.98 g/mol, XLogP of 7.14, 6 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]carbamate;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-amine;5-chloro-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-4-carboxylic acid;(1R,4R)-2-(5-chloro-2-pyridinyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 162039718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).