6-[4-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(3-bromo-4-pyridinyl)methanamine;N-[(3-bromo-4-pyridinyl)methyl]acetamide;tert-butyl 6-[4-(acetamidomethyl)-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;N-[[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]methyl]acetamide

C87H108BBr2N19O11 — CID 158333576

About 6-[4-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(3-bromo-4-pyridinyl)methanamine;N-[(3-bromo-4-pyridinyl)methyl]acetamide;tert-butyl 6-[4-(acetamidomethyl)-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;N-[[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]methyl]acetamide

6-[4-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(3-bromo-4-pyridinyl)methanamine;N-[(3-bromo-4-pyridinyl)methyl]acetamide;tert-butyl 6-[4-(acetamidomethyl)-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;N-[[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]methyl]acetamide (PubChem CID 158333576) has the molecular formula C87H108BBr2N19O11 and a molecular weight of 1766.56 g/mol. Its IUPAC name is 6-[4-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(3-bromo-4-pyridinyl)methanamine;N-[(3-bromo-4-pyridinyl)methyl]acetamide;tert-butyl 6-[4-(acetamidomethyl)-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;N-[[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]methyl]acetamide.

Molecular Properties

• Compound Name: 6-[4-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(3-bromo-4-pyridinyl)methanamine;N-[(3-bromo-4-pyridinyl)methyl]acetamide;tert-butyl 6-[4-(acetamidomethyl)-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;N-[[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]methyl]acetamide
• PubChem CID: 158333576
• Molecular Formula: C87H108BBr2N19O11
• Molecular Weight: 1766.56 g/mol
• Exact Mass: 1763.69
• IUPAC Name: 6-[4-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(3-bromo-4-pyridinyl)methanamine;N-[(3-bromo-4-pyridinyl)methyl]acetamide;tert-butyl 6-[4-(acetamidomethyl)-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;N-[[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]methyl]acetamide
• SMILES: CC(=O)NCc1ccncc1-c1cnc2c(c1)CCCN2.CC(=O)NCc1ccncc1-c1cnc2c(c1)CCCN2C(=O)OC(C)(C)C.CC(=O)NCc1ccncc1-c1cnc2c(c1)CCCN2C(N)=O.CC(=O)NCc1ccncc1Br.CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.NCc1ccncc1Br
• InChI: InChI=1S/C21H26N4O3.C19H29BN2O4.C17H19N5O2.C16H18N4O.C8H9BrN2O.C6H7BrN2/c1-14(26)23-11-16-7-8-22-13-18(16)17-10-15-6-5-9-25(19(15)24-12-17)20(27)28-21(2,3)4;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;1-11(23)20-8-13-4-5-19-10-15(13)14-7-12-3-2-6-22(17(18)24)16(12)21-9-14;1-11(21)19-8-13-4-6-17-10-15(13)14-7-12-3-2-5-18-16(12)20-9-14;1-6(12)11-4-7-2-3-10-5-8(7)9;7-6-4-9-2-1-5(6)3-8/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H,23,26);11-12H,8-10H2,1-7H3;4-5,7,9-10H,2-3,6,8H2,1H3,(H2,18,24)(H,20,23);4,6-7,9-10H,2-3,5,8H2,1H3,(H,18,20)(H,19,21);2-3,5H,4H2,1H3,(H,11,12);1-2,4H,3,8H2
• InChIKey: GQHQAKKMLOKFDO-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 394.33 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1766.56
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-[4-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(3-bromo-4-pyridinyl)methanamine;N-[(3-bromo-4-pyridinyl)methyl]acetamide;tert-butyl 6-[4-(acetamidomethyl)-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;N-[[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]methyl]acetamide (CID 158333576) is 6-[4-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(3-bromo-4-pyridinyl)methanamine;N-[(3-bromo-4-pyridinyl)methyl]acetamide;tert-butyl 6-[4-(acetamidomethyl)-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;N-[[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]methyl]acetamide.

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

The canonical SMILES for 6-[4-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(3-bromo-4-pyridinyl)methanamine;N-[(3-bromo-4-pyridinyl)methyl]acetamide;tert-butyl 6-[4-(acetamidomethyl)-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;N-[[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]methyl]acetamide is CC(=O)NCc1ccncc1-c1cnc2c(c1)CCCN2.CC(=O)NCc1ccncc1-c1cnc2c(c1)CCCN2C(=O)OC(C)(C)C.CC(=O)NCc1ccncc1-c1cnc2c(c1)CCCN2C(N)=O.CC(=O)NCc1ccncc1Br.CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.NCc1ccncc1Br.

What is the InChIKey of 6-[4-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(3-bromo-4-pyridinyl)methanamine;N-[(3-bromo-4-pyridinyl)methyl]acetamide;tert-butyl 6-[4-(acetamidomethyl)-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;N-[[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]methyl]acetamide?

The InChIKey is GQHQAKKMLOKFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3.C19H29BN2O4.C17H19N5O2.C16H18N4O.C8H9BrN2O.C6H7BrN2/c1-14(26)23-11-16-7-8-22-13-18(16)17-10-15-6-5-9-25(19(15)24-12-17)20(27)28-21(2,3)4;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;1-11(23)20-8-13-4-5-19-10-15(13)14-7-12-3-2-6-22(17(18)24)16(12)21-9-14;1-11(21)19-8-13-4-6-17-10-15(13)14-7-12-3-2-5-18-16(12)20-9-14;1-6(12)11-4-7-2-3-10-5-8(7)9;7-6-4-9-2-1-5(6)3-8/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H,23,26);11-12H,8-10H2,1-7H3;4-5,7,9-10H,2-3,6,8H2,1H3,(H2,18,24)(H,20,23);4,6-7,9-10H,2-3,5,8H2,1H3,(H,18,20)(H,19,21);2-3,5H,4H2,1H3,(H,11,12);1-2,4H,3,8H2.

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

6-[4-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(3-bromo-4-pyridinyl)methanamine;N-[(3-bromo-4-pyridinyl)methyl]acetamide;tert-butyl 6-[4-(acetamidomethyl)-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;N-[[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]methyl]acetamide has a molecular weight of 1766.56 g/mol, XLogP of 13.07, 13 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(3-bromo-4-pyridinyl)methanamine;N-[(3-bromo-4-pyridinyl)methyl]acetamide;tert-butyl 6-[4-(acetamidomethyl)-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;N-[[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]methyl]acetamide is sourced from PubChem (CID 158333576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).