6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;tert-butyl N-[[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methyl]carbamate;tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate

C₆₁H₇₉BBrN₁₅O₉ — CID 158826073

About 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;tert-butyl N-[[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methyl]carbamate;tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate

6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;tert-butyl N-[[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methyl]carbamate;tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate (PubChem CID 158826073) has the molecular formula C₆₁H₇₉BBrN₁₅O₉ and a molecular weight of 1257.11 g/mol. Its IUPAC name is 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;tert-butyl N-[[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methyl]carbamate;tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate.

Molecular Properties

• Compound Name: 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;tert-butyl N-[[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methyl]carbamate;tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate
• PubChem CID: 158826073
• Molecular Formula: C₆₁H₇₉BBrN₁₅O₉
• Molecular Weight: 1257.11 g/mol
• Exact Mass: 1255.55
• IUPAC Name: 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;tert-butyl N-[[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methyl]carbamate;tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CC(C)(C)OC(=O)NCc1cncc(B2OC(C)(C)C(C)(C)O2)c1.NC(=O)N1CCCc2cc(Br)cnc21.NCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
• InChI: InChI=1S/C20H25N5O3.C17H27BN2O4.C15H17N5O.C9H10BrN3O/c1-20(2,3)28-19(27)24-10-13-7-15(11-22-9-13)16-8-14-5-4-6-25(18(21)26)17(14)23-12-16;1-15(2,3)22-14(21)20-10-12-8-13(11-19-9-12)18-23-16(4,5)17(6,7)24-18;16-6-10-4-12(8-18-7-10)13-5-11-2-1-3-20(15(17)21)14(11)19-9-13;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7/h7-9,11-12H,4-6,10H2,1-3H3,(H2,21,26)(H,24,27);8-9,11H,10H2,1-7H3,(H,20,21);4-5,7-9H,1-3,6,16H2,(H2,17,21);4-5H,1-3H2,(H2,11,14)
• InChIKey: IWLWZFRZONAORY-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 337.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1257.11
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;tert-butyl N-[[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methyl]carbamate;tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate?

The IUPAC name of 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;tert-butyl N-[[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methyl]carbamate;tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate (CID 158826073) is 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;tert-butyl N-[[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methyl]carbamate;tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate.

What is the SMILES notation for 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;tert-butyl N-[[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methyl]carbamate;tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate?

The canonical SMILES for 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;tert-butyl N-[[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methyl]carbamate;tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CC(C)(C)OC(=O)NCc1cncc(B2OC(C)(C)C(C)(C)O2)c1.NC(=O)N1CCCc2cc(Br)cnc21.NCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.

What is the InChIKey of 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;tert-butyl N-[[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methyl]carbamate;tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate?

The InChIKey is IWLWZFRZONAORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3.C17H27BN2O4.C15H17N5O.C9H10BrN3O/c1-20(2,3)28-19(27)24-10-13-7-15(11-22-9-13)16-8-14-5-4-6-25(18(21)26)17(14)23-12-16;1-15(2,3)22-14(21)20-10-12-8-13(11-19-9-12)18-23-16(4,5)17(6,7)24-18;16-6-10-4-12(8-18-7-10)13-5-11-2-1-3-20(15(17)21)14(11)19-9-13;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7/h7-9,11-12H,4-6,10H2,1-3H3,(H2,21,26)(H,24,27);8-9,11H,10H2,1-7H3,(H,20,21);4-5,7-9H,1-3,6,16H2,(H2,17,21);4-5H,1-3H2,(H2,11,14).

What are the key properties of 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;tert-butyl N-[[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methyl]carbamate;tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate?

6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;tert-butyl N-[[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methyl]carbamate;tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate has a molecular weight of 1257.11 g/mol, XLogP of 8.51, 8 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(aminomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;tert-butyl N-[[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methyl]carbamate;tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 158826073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158826073 — identifiers, structure, computed properties (public domain)

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