6-[4-[amino(hydroxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromopyridine-4-carboxamide;tert-butyl 6-(4-carbamoyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carboxamide

C73H87BBrN17O11 — CID 161303396

About 6-[4-[amino(hydroxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromopyridine-4-carboxamide;tert-butyl 6-(4-carbamoyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carboxamide

6-[4-[amino(hydroxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromopyridine-4-carboxamide;tert-butyl 6-(4-carbamoyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carboxamide (PubChem CID 161303396) has the molecular formula C73H87BBrN17O11 and a molecular weight of 1469.32 g/mol. Its IUPAC name is 6-[4-[amino(hydroxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromopyridine-4-carboxamide;tert-butyl 6-(4-carbamoyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[amino(hydroxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromopyridine-4-carboxamide;tert-butyl 6-(4-carbamoyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carboxamide
• PubChem CID: 161303396
• Molecular Formula: C73H87BBrN17O11
• Molecular Weight: 1469.32 g/mol
• Exact Mass: 1467.60
• IUPAC Name: 6-[4-[amino(hydroxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromopyridine-4-carboxamide;tert-butyl 6-(4-carbamoyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carboxamide
• SMILES: CC(C)(C)OC(=O)N1CCCc2cc(-c3cnccc3C(N)=O)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.NC(=O)N1CCCc2cc(-c3cnccc3C(N)O)cnc21.NC(=O)c1ccncc1-c1cnc2c(c1)CCCN2.NC(=O)c1ccncc1Br
• InChI: InChI=1S/C19H29BN2O4.C19H22N4O3.C15H17N5O2.C14H14N4O.C6H5BrN2O/c1-17(2,3)24-16(23)22-10-8-9-13-11-14(12-21-15(13)22)20-25-18(4,5)19(6,7)26-20;1-19(2,3)26-18(25)23-8-4-5-12-9-13(10-22-17(12)23)15-11-21-7-6-14(15)16(20)24;16-13(21)11-3-4-18-8-12(11)10-6-9-2-1-5-20(15(17)22)14(9)19-7-10;15-13(19)11-3-5-16-8-12(11)10-6-9-2-1-4-17-14(9)18-7-10;7-5-3-9-2-1-4(5)6(8)10/h11-12H,8-10H2,1-7H3;6-7,9-11H,4-5,8H2,1-3H3,(H2,20,24);3-4,6-8,13,21H,1-2,5,16H2,(H2,17,22);3,5-8H,1-2,4H2,(H2,15,19)(H,17,18);1-3H,(H2,8,10)
• InChIKey: VHXNRJHIEGWKAU-UHFFFAOYSA-N
• XLogP: 9.47
• TPSA: 414.54 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1469.32
LogP ≤ 5	9.47
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[amino(hydroxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromopyridine-4-carboxamide;tert-butyl 6-(4-carbamoyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carboxamide?

The IUPAC name of 6-[4-[amino(hydroxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromopyridine-4-carboxamide;tert-butyl 6-(4-carbamoyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carboxamide (CID 161303396) is 6-[4-[amino(hydroxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromopyridine-4-carboxamide;tert-butyl 6-(4-carbamoyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carboxamide.

What is the SMILES notation for 6-[4-[amino(hydroxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromopyridine-4-carboxamide;tert-butyl 6-(4-carbamoyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carboxamide?

The canonical SMILES for 6-[4-[amino(hydroxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromopyridine-4-carboxamide;tert-butyl 6-(4-carbamoyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carboxamide is CC(C)(C)OC(=O)N1CCCc2cc(-c3cnccc3C(N)=O)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.NC(=O)N1CCCc2cc(-c3cnccc3C(N)O)cnc21.NC(=O)c1ccncc1-c1cnc2c(c1)CCCN2.NC(=O)c1ccncc1Br.

What is the InChIKey of 6-[4-[amino(hydroxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromopyridine-4-carboxamide;tert-butyl 6-(4-carbamoyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carboxamide?

The InChIKey is VHXNRJHIEGWKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BN2O4.C19H22N4O3.C15H17N5O2.C14H14N4O.C6H5BrN2O/c1-17(2,3)24-16(23)22-10-8-9-13-11-14(12-21-15(13)22)20-25-18(4,5)19(6,7)26-20;1-19(2,3)26-18(25)23-8-4-5-12-9-13(10-22-17(12)23)15-11-21-7-6-14(15)16(20)24;16-13(21)11-3-4-18-8-12(11)10-6-9-2-1-5-20(15(17)22)14(9)19-7-10;15-13(19)11-3-5-16-8-12(11)10-6-9-2-1-4-17-14(9)18-7-10;7-5-3-9-2-1-4(5)6(8)10/h11-12H,8-10H2,1-7H3;6-7,9-11H,4-5,8H2,1-3H3,(H2,20,24);3-4,6-8,13,21H,1-2,5,16H2,(H2,17,22);3,5-8H,1-2,4H2,(H2,15,19)(H,17,18);1-3H,(H2,8,10).

What are the key properties of 6-[4-[amino(hydroxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromopyridine-4-carboxamide;tert-butyl 6-(4-carbamoyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carboxamide?

6-[4-[amino(hydroxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromopyridine-4-carboxamide;tert-butyl 6-(4-carbamoyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carboxamide has a molecular weight of 1469.32 g/mol, XLogP of 9.47, 8 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[amino(hydroxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromopyridine-4-carboxamide;tert-butyl 6-(4-carbamoyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 161303396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).