(5-bromo-3-pyridinyl)methanol;2-[(5-bromo-3-pyridinyl)methoxy]-N,N-dimethylacetamide;tert-butyl 6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-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;2-chloro-N,N-dimethylacetamide;6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N,N-dimethyl-2-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetamide

C99H131BBr2ClN19O17 — CID 157168115

About (5-bromo-3-pyridinyl)methanol;2-[(5-bromo-3-pyridinyl)methoxy]-N,N-dimethylacetamide;tert-butyl 6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-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;2-chloro-N,N-dimethylacetamide;6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N,N-dimethyl-2-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetamide

(5-bromo-3-pyridinyl)methanol;2-[(5-bromo-3-pyridinyl)methoxy]-N,N-dimethylacetamide;tert-butyl 6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-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;2-chloro-N,N-dimethylacetamide;6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N,N-dimethyl-2-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetamide (PubChem CID 157168115) has the molecular formula C99H131BBr2ClN19O17 and a molecular weight of 2065.33 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)methanol;2-[(5-bromo-3-pyridinyl)methoxy]-N,N-dimethylacetamide;tert-butyl 6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-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;2-chloro-N,N-dimethylacetamide;6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N,N-dimethyl-2-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetamide.

Molecular Properties

• Compound Name: (5-bromo-3-pyridinyl)methanol;2-[(5-bromo-3-pyridinyl)methoxy]-N,N-dimethylacetamide;tert-butyl 6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-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;2-chloro-N,N-dimethylacetamide;6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N,N-dimethyl-2-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetamide
• PubChem CID: 157168115
• Molecular Formula: C99H131BBr2ClN19O17
• Molecular Weight: 2065.33 g/mol
• Exact Mass: 2061.81
• IUPAC Name: (5-bromo-3-pyridinyl)methanol;2-[(5-bromo-3-pyridinyl)methoxy]-N,N-dimethylacetamide;tert-butyl 6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-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;2-chloro-N,N-dimethylacetamide;6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N,N-dimethyl-2-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetamide
• SMILES: CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.CN(C)C(=O)CCl.CN(C)C(=O)COCc1cncc(-c2cnc3c(c2)CCCN3)c1.CN(C)C(=O)COCc1cncc(-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)c1.CN(C)C(=O)COCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CN(C)C(=O)COCc1cncc(Br)c1.OCc1cncc(Br)c1
• InChI: InChI=1S/C23H30N4O4.C19H29BN2O4.C19H23N5O3.C18H22N4O2.C10H13BrN2O2.C6H6BrNO.C4H8ClNO/c1-23(2,3)31-22(29)27-8-6-7-17-10-19(13-25-21(17)27)18-9-16(11-24-12-18)14-30-15-20(28)26(4)5;1-17(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;1-23(2)17(25)12-27-11-13-6-15(9-21-8-13)16-7-14-4-3-5-24(19(20)26)18(14)22-10-16;1-22(2)17(23)12-24-11-13-6-15(9-19-8-13)16-7-14-4-3-5-20-18(14)21-10-16;1-13(2)10(14)7-15-6-8-3-9(11)5-12-4-8;7-6-1-5(4-9)2-8-3-6;1-6(2)4(7)3-5/h9-13H,6-8,14-15H2,1-5H3;11-12H,8-10H2,1-7H3;6-10H,3-5,11-12H2,1-2H3,(H2,20,26);6-10H,3-5,11-12H2,1-2H3,(H,20,21);3-5H,6-7H2,1-2H3;1-3,9H,4H2;3H2,1-2H3
• InChIKey: ANDOHVQMSFRZAX-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 410.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2065.33
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)methanol;2-[(5-bromo-3-pyridinyl)methoxy]-N,N-dimethylacetamide;tert-butyl 6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-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;2-chloro-N,N-dimethylacetamide;6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N,N-dimethyl-2-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetamide?

The IUPAC name of (5-bromo-3-pyridinyl)methanol;2-[(5-bromo-3-pyridinyl)methoxy]-N,N-dimethylacetamide;tert-butyl 6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-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;2-chloro-N,N-dimethylacetamide;6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N,N-dimethyl-2-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetamide (CID 157168115) is (5-bromo-3-pyridinyl)methanol;2-[(5-bromo-3-pyridinyl)methoxy]-N,N-dimethylacetamide;tert-butyl 6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-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;2-chloro-N,N-dimethylacetamide;6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N,N-dimethyl-2-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetamide.

What is the SMILES notation for (5-bromo-3-pyridinyl)methanol;2-[(5-bromo-3-pyridinyl)methoxy]-N,N-dimethylacetamide;tert-butyl 6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-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;2-chloro-N,N-dimethylacetamide;6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N,N-dimethyl-2-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetamide?

The canonical SMILES for (5-bromo-3-pyridinyl)methanol;2-[(5-bromo-3-pyridinyl)methoxy]-N,N-dimethylacetamide;tert-butyl 6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-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;2-chloro-N,N-dimethylacetamide;6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N,N-dimethyl-2-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetamide is CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.CN(C)C(=O)CCl.CN(C)C(=O)COCc1cncc(-c2cnc3c(c2)CCCN3)c1.CN(C)C(=O)COCc1cncc(-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)c1.CN(C)C(=O)COCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CN(C)C(=O)COCc1cncc(Br)c1.OCc1cncc(Br)c1.

What is the InChIKey of (5-bromo-3-pyridinyl)methanol;2-[(5-bromo-3-pyridinyl)methoxy]-N,N-dimethylacetamide;tert-butyl 6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-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;2-chloro-N,N-dimethylacetamide;6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N,N-dimethyl-2-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetamide?

The InChIKey is ANDOHVQMSFRZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4.C19H29BN2O4.C19H23N5O3.C18H22N4O2.C10H13BrN2O2.C6H6BrNO.C4H8ClNO/c1-23(2,3)31-22(29)27-8-6-7-17-10-19(13-25-21(17)27)18-9-16(11-24-12-18)14-30-15-20(28)26(4)5;1-17(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;1-23(2)17(25)12-27-11-13-6-15(9-21-8-13)16-7-14-4-3-5-24(19(20)26)18(14)22-10-16;1-22(2)17(23)12-24-11-13-6-15(9-19-8-13)16-7-14-4-3-5-20-18(14)21-10-16;1-13(2)10(14)7-15-6-8-3-9(11)5-12-4-8;7-6-1-5(4-9)2-8-3-6;1-6(2)4(7)3-5/h9-13H,6-8,14-15H2,1-5H3;11-12H,8-10H2,1-7H3;6-10H,3-5,11-12H2,1-2H3,(H2,20,26);6-10H,3-5,11-12H2,1-2H3,(H,20,21);3-5H,6-7H2,1-2H3;1-3,9H,4H2;3H2,1-2H3.

What are the key properties of (5-bromo-3-pyridinyl)methanol;2-[(5-bromo-3-pyridinyl)methoxy]-N,N-dimethylacetamide;tert-butyl 6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-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;2-chloro-N,N-dimethylacetamide;6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N,N-dimethyl-2-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetamide?

(5-bromo-3-pyridinyl)methanol;2-[(5-bromo-3-pyridinyl)methoxy]-N,N-dimethylacetamide;tert-butyl 6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-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;2-chloro-N,N-dimethylacetamide;6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N,N-dimethyl-2-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetamide has a molecular weight of 2065.33 g/mol, XLogP of 13.29, 22 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (5-bromo-3-pyridinyl)methanol;2-[(5-bromo-3-pyridinyl)methoxy]-N,N-dimethylacetamide;tert-butyl 6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-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;2-chloro-N,N-dimethylacetamide;6-[5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N,N-dimethyl-2-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]acetamide is sourced from PubChem (CID 157168115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).