1-(5-bromo-3-pyridinyl)cyclobutan-1-ol;3,5-dibromopyridine;6-[5-(1-hydroxycyclobutyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C32H33Br3N6O3 — CID 159206012

About 1-(5-bromo-3-pyridinyl)cyclobutan-1-ol;3,5-dibromopyridine;6-[5-(1-hydroxycyclobutyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

1-(5-bromo-3-pyridinyl)cyclobutan-1-ol;3,5-dibromopyridine;6-[5-(1-hydroxycyclobutyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 159206012) has the molecular formula C32H33Br3N6O3 and a molecular weight of 789.37 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)cyclobutan-1-ol;3,5-dibromopyridine;6-[5-(1-hydroxycyclobutyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 1-(5-bromo-3-pyridinyl)cyclobutan-1-ol;3,5-dibromopyridine;6-[5-(1-hydroxycyclobutyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 159206012
• Molecular Formula: C32H33Br3N6O3
• Molecular Weight: 789.37 g/mol
• Exact Mass: 786.02
• IUPAC Name: 1-(5-bromo-3-pyridinyl)cyclobutan-1-ol;3,5-dibromopyridine;6-[5-(1-hydroxycyclobutyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: Brc1cncc(Br)c1.NC(=O)N1CCCc2cc(-c3cncc(C4(O)CCC4)c3)cnc21.OC1(c2cncc(Br)c2)CCC1
• InChI: InChI=1S/C18H20N4O2.C9H10BrNO.C5H3Br2N/c19-17(23)22-6-1-3-12-7-13(10-21-16(12)22)14-8-15(11-20-9-14)18(24)4-2-5-18;10-8-4-7(5-11-6-8)9(12)2-1-3-9;6-4-1-5(7)3-8-2-4/h7-11,24H,1-6H2,(H2,19,23);4-6,12H,1-3H2;1-3H
• InChIKey: KPWWPXFOBLUPCQ-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 138.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.37
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)cyclobutan-1-ol;3,5-dibromopyridine;6-[5-(1-hydroxycyclobutyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of 1-(5-bromo-3-pyridinyl)cyclobutan-1-ol;3,5-dibromopyridine;6-[5-(1-hydroxycyclobutyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 159206012) is 1-(5-bromo-3-pyridinyl)cyclobutan-1-ol;3,5-dibromopyridine;6-[5-(1-hydroxycyclobutyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for 1-(5-bromo-3-pyridinyl)cyclobutan-1-ol;3,5-dibromopyridine;6-[5-(1-hydroxycyclobutyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for 1-(5-bromo-3-pyridinyl)cyclobutan-1-ol;3,5-dibromopyridine;6-[5-(1-hydroxycyclobutyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is Brc1cncc(Br)c1.NC(=O)N1CCCc2cc(-c3cncc(C4(O)CCC4)c3)cnc21.OC1(c2cncc(Br)c2)CCC1.

What is the InChIKey of 1-(5-bromo-3-pyridinyl)cyclobutan-1-ol;3,5-dibromopyridine;6-[5-(1-hydroxycyclobutyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is KPWWPXFOBLUPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2.C9H10BrNO.C5H3Br2N/c19-17(23)22-6-1-3-12-7-13(10-21-16(12)22)14-8-15(11-20-9-14)18(24)4-2-5-18;10-8-4-7(5-11-6-8)9(12)2-1-3-9;6-4-1-5(7)3-8-2-4/h7-11,24H,1-6H2,(H2,19,23);4-6,12H,1-3H2;1-3H.

What are the key properties of 1-(5-bromo-3-pyridinyl)cyclobutan-1-ol;3,5-dibromopyridine;6-[5-(1-hydroxycyclobutyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

1-(5-bromo-3-pyridinyl)cyclobutan-1-ol;3,5-dibromopyridine;6-[5-(1-hydroxycyclobutyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 789.37 g/mol, XLogP of 7.17, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-bromo-3-pyridinyl)cyclobutan-1-ol;3,5-dibromopyridine;6-[5-(1-hydroxycyclobutyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 159206012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).