Tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine

C₂₈H₄₂N₆O₆ — CID 159600082

About Tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine

Tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine (PubChem CID 159600082) has the molecular formula C₂₈H₄₂N₆O₆ and a molecular weight of 558.68 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine.

Molecular Properties

• Compound Name: Tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine
• PubChem CID: 159600082
• Molecular Formula: C₂₈H₄₂N₆O₆
• Molecular Weight: 558.68 g/mol
• Exact Mass: 558.32
• IUPAC Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine
• SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(N2CCOCC2)ccn1.Nc1cc(N2CCOCC2)ccn1
• InChI: InChI=1S/C19H29N3O5.C9H13N3O/c1-18(2,3)26-16(23)22(17(24)27-19(4,5)6)15-13-14(7-8-20-15)21-9-11-25-12-10-21;10-9-7-8(1-2-11-9)12-3-5-13-6-4-12/h7-8,13H,9-12H2,1-6H3;1-2,7H,3-6H2,(H2,10,11)
• InChIKey: MLJCPBPTSWYZHM-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 132.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.68
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine?

The IUPAC name of Tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine (CID 159600082) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine.

What is the SMILES notation for Tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine?

The canonical SMILES for Tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(N2CCOCC2)ccn1.Nc1cc(N2CCOCC2)ccn1.

What is the InChIKey of Tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine?

The InChIKey is MLJCPBPTSWYZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5.C9H13N3O/c1-18(2,3)26-16(23)22(17(24)27-19(4,5)6)15-13-14(7-8-20-15)21-9-11-25-12-10-21;10-9-7-8(1-2-11-9)12-3-5-13-6-4-12/h7-8,13H,9-12H2,1-6H3;1-2,7H,3-6H2,(H2,10,11).

What are the key properties of Tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine?

Tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine has a molecular weight of 558.68 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 159600082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159600082 — identifiers, structure, computed properties (public domain)

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