5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide

C18H17BrN4O4S — CID 11568908

About 5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide

5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 11568908) has the molecular formula C18H17BrN4O4S and a molecular weight of 465.33 g/mol. Its IUPAC name is 5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide
• PubChem CID: 11568908
• Molecular Formula: C18H17BrN4O4S
• Molecular Weight: 465.33 g/mol
• Exact Mass: 464.02
• IUPAC Name: 5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide
• SMILES: O=C(N[C@@H]1CC(=O)N(c2ccc(N3CCOCC3=O)cn2)C1)c1ccc(Br)s1
• InChI: InChI=1S/C18H17BrN4O4S/c19-14-3-2-13(28-14)18(26)21-11-7-16(24)23(9-11)15-4-1-12(8-20-15)22-5-6-27-10-17(22)25/h1-4,8,11H,5-7,9-10H2,(H,21,26)/t11-/m1/s1
• InChIKey: NOOUIWXRRCNHCG-LLVKDONJSA-N
• XLogP: 1.80
• TPSA: 91.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.33
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide?

The IUPAC name of 5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide (CID 11568908) is 5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide is O=C(N[C@@H]1CC(=O)N(c2ccc(N3CCOCC3=O)cn2)C1)c1ccc(Br)s1.

What is the InChIKey of 5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide?

The InChIKey is NOOUIWXRRCNHCG-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17BrN4O4S/c19-14-3-2-13(28-14)18(26)21-11-7-16(24)23(9-11)15-4-1-12(8-20-15)22-5-6-27-10-17(22)25/h1-4,8,11H,5-7,9-10H2,(H,21,26)/t11-/m1/s1.

What are the key properties of 5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide?

5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 465.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 11568908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).