6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone

C44H54BBrN10O6 — CID 157344839

About 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone

6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone (PubChem CID 157344839) has the molecular formula C44H54BBrN10O6 and a molecular weight of 909.70 g/mol. Its IUPAC name is 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone
• PubChem CID: 157344839
• Molecular Formula: C44H54BBrN10O6
• Molecular Weight: 909.70 g/mol
• Exact Mass: 908.35
• IUPAC Name: 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone
• SMILES: CC1(C)OB(c2cncc(C(=O)N3CCCC3)c2)OC1(C)C.NC(=O)N1CCCc2cc(-c3cncc(C(=O)N4CCCC4)c3)cnc21.NC(=O)N1CCCc2cc(Br)cnc21
• InChI: InChI=1S/C19H21N5O2.C16H23BN2O3.C9H10BrN3O/c20-19(26)24-7-3-4-13-8-15(12-22-17(13)24)14-9-16(11-21-10-14)18(25)23-5-1-2-6-23;1-15(2)16(3,4)22-17(21-15)13-9-12(10-18-11-13)14(20)19-7-5-6-8-19;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7/h8-12H,1-7H2,(H2,20,26);9-11H,5-8H2,1-4H3;4-5H,1-3H2,(H2,11,14)
• InChIKey: BGVHMYDPJPZSPV-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 203.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.70
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone?

The IUPAC name of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone (CID 157344839) is 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone.

What is the SMILES notation for 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone?

The canonical SMILES for 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone is CC1(C)OB(c2cncc(C(=O)N3CCCC3)c2)OC1(C)C.NC(=O)N1CCCc2cc(-c3cncc(C(=O)N4CCCC4)c3)cnc21.NC(=O)N1CCCc2cc(Br)cnc21.

What is the InChIKey of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone?

The InChIKey is BGVHMYDPJPZSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2.C16H23BN2O3.C9H10BrN3O/c20-19(26)24-7-3-4-13-8-15(12-22-17(13)24)14-9-16(11-21-10-14)18(25)23-5-1-2-6-23;1-15(2)16(3,4)22-17(21-15)13-9-12(10-18-11-13)14(20)19-7-5-6-8-19;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7/h8-12H,1-7H2,(H2,20,26);9-11H,5-8H2,1-4H3;4-5H,1-3H2,(H2,11,14).

What are the key properties of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone?

6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone has a molecular weight of 909.70 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 157344839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).