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

C30H29Br3N6O5 — CID 158072347

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

3-(5-bromo-3-pyridinyl)oxetan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 158072347) has the molecular formula C30H29Br3N6O5 and a molecular weight of 793.31 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)oxetan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 3-(5-bromo-3-pyridinyl)oxetan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 158072347
• Molecular Formula: C30H29Br3N6O5
• Molecular Weight: 793.31 g/mol
• Exact Mass: 789.97
• IUPAC Name: 3-(5-bromo-3-pyridinyl)oxetan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: Brc1cncc(Br)c1.NC(=O)N1CCCc2cc(-c3cncc(C4(O)COC4)c3)cnc21.OC1(c2cncc(Br)c2)COC1
• InChI: InChI=1S/C17H18N4O3.C8H8BrNO2.C5H3Br2N/c18-16(22)21-3-1-2-11-4-12(7-20-15(11)21)13-5-14(8-19-6-13)17(23)9-24-10-17;9-7-1-6(2-10-3-7)8(11)4-12-5-8;6-4-1-5(7)3-8-2-4/h4-8,23H,1-3,9-10H2,(H2,18,22);1-3,11H,4-5H2;1-3H
• InChIKey: FLYXHHCXYOWOGU-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 156.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	793.31
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-(5-bromo-3-pyridinyl)oxetan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 158072347) is 3-(5-bromo-3-pyridinyl)oxetan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for 3-(5-bromo-3-pyridinyl)oxetan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is Brc1cncc(Br)c1.NC(=O)N1CCCc2cc(-c3cncc(C4(O)COC4)c3)cnc21.OC1(c2cncc(Br)c2)COC1.

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

The InChIKey is FLYXHHCXYOWOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3.C8H8BrNO2.C5H3Br2N/c18-16(22)21-3-1-2-11-4-12(7-20-15(11)21)13-5-14(8-19-6-13)17(23)9-24-10-17;9-7-1-6(2-10-3-7)8(11)4-12-5-8;6-4-1-5(7)3-8-2-4/h4-8,23H,1-3,9-10H2,(H2,18,22);1-3,11H,4-5H2;1-3H.

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

3-(5-bromo-3-pyridinyl)oxetan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 793.31 g/mol, XLogP of 4.86, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-bromo-3-pyridinyl)oxetan-3-ol;3,5-dibromopyridine;6-[5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 158072347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).