potassium;acetyl acetate;5-bromopyridin-3-amine;bis(1-(5-bromo-3-pyridinyl)propan-2-one);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(5,6,7,8-tetrahydro-1,8-naphthyridin-3-ylboronic acid);N-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trichloro-N-(2-oxoethylidene)acetamide;hydroxide

C95H117B4Br4Cl3KN21O19 — CID 161290852

About potassium;acetyl acetate;5-bromopyridin-3-amine;bis(1-(5-bromo-3-pyridinyl)propan-2-one);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(5,6,7,8-tetrahydro-1,8-naphthyridin-3-ylboronic acid);N-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trichloro-N-(2-oxoethylidene)acetamide;hydroxide

potassium;acetyl acetate;5-bromopyridin-3-amine;bis(1-(5-bromo-3-pyridinyl)propan-2-one);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(5,6,7,8-tetrahydro-1,8-naphthyridin-3-ylboronic acid);N-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trichloro-N-(2-oxoethylidene)acetamide;hydroxide (PubChem CID 161290852) has the molecular formula C95H117B4Br4Cl3KN21O19 and a molecular weight of 2365.43 g/mol. Its IUPAC name is potassium;acetyl acetate;5-bromopyridin-3-amine;bis(1-(5-bromo-3-pyridinyl)propan-2-one);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(5,6,7,8-tetrahydro-1,8-naphthyridin-3-ylboronic acid);N-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trichloro-N-(2-oxoethylidene)acetamide;hydroxide.

Molecular Properties

• Compound Name: potassium;acetyl acetate;5-bromopyridin-3-amine;bis(1-(5-bromo-3-pyridinyl)propan-2-one);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(5,6,7,8-tetrahydro-1,8-naphthyridin-3-ylboronic acid);N-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trichloro-N-(2-oxoethylidene)acetamide;hydroxide
• PubChem CID: 161290852
• Molecular Formula: C95H117B4Br4Cl3KN21O19
• Molecular Weight: 2365.43 g/mol
• Exact Mass: 2359.46
• IUPAC Name: potassium;acetyl acetate;5-bromopyridin-3-amine;bis(1-(5-bromo-3-pyridinyl)propan-2-one);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(5,6,7,8-tetrahydro-1,8-naphthyridin-3-ylboronic acid);N-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trichloro-N-(2-oxoethylidene)acetamide;hydroxide
• SMILES: Brc1cnc2c(c1)CCCN2.CC(=O)Cc1cncc(Br)c1.CC(=O)Cc1cncc(Br)c1.CC(=O)Nc1cncc(-c2cnc3c(c2)CCCN3)c1.CC(=O)OC(C)=O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.NC(=O)Nc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.Nc1cncc(Br)c1.O=C/C=N/C(=O)C(Cl)(Cl)Cl.OB(O)c1cnc2c(c1)CCCN2.OB(O)c1cnc2c(c1)CCCN2.[K+].[OH-]
• InChI: InChI=1S/C15H16N6O2.C15H16N4O.C12H24B2O4.2C8H11BN2O2.C8H9BrN2.2C8H8BrNO.C5H5BrN2.C4H2Cl3NO2.C4H6O3.K.H2O/c16-14(22)20-12-5-11(6-18-8-12)10-4-9-2-1-3-21(15(17)23)13(9)19-7-10;1-10(20)19-14-6-13(7-16-9-14)12-5-11-3-2-4-17-15(11)18-8-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*12-9(13)7-4-6-2-1-3-10-8(6)11-5-7;9-7-4-6-2-1-3-10-8(6)11-5-7;2*1-6(11)2-7-3-8(9)5-10-4-7;6-4-1-5(7)3-8-2-4;5-4(6,7)3(10)8-1-2-9;1-3(5)7-4(2)6;;/h4-8H,1-3H2,(H2,17,23)(H3,16,20,22);5-9H,2-4H2,1H3,(H,17,18)(H,19,20);1-8H3;2*4-5,12-13H,1-3H2,(H,10,11);4-5H,1-3H2,(H,10,11);2*3-5H,2H2,1H3;1-3H,7H2;1-2H;1-2H3;;1H2/q;;;;;;;;;;;+1;/p-1/b;;;;;;;;;8-1+
• InChIKey: IBPPJCISPFTHFW-OLRPTMMPSA-M
• XLogP: 10.07
• TPSA: 605.44 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 34
• Rotatable Bonds: 12
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2365.43
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;acetyl acetate;5-bromopyridin-3-amine;bis(1-(5-bromo-3-pyridinyl)propan-2-one);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(5,6,7,8-tetrahydro-1,8-naphthyridin-3-ylboronic acid);N-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trichloro-N-(2-oxoethylidene)acetamide;hydroxide?

The IUPAC name of potassium;acetyl acetate;5-bromopyridin-3-amine;bis(1-(5-bromo-3-pyridinyl)propan-2-one);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(5,6,7,8-tetrahydro-1,8-naphthyridin-3-ylboronic acid);N-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trichloro-N-(2-oxoethylidene)acetamide;hydroxide (CID 161290852) is potassium;acetyl acetate;5-bromopyridin-3-amine;bis(1-(5-bromo-3-pyridinyl)propan-2-one);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(5,6,7,8-tetrahydro-1,8-naphthyridin-3-ylboronic acid);N-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trichloro-N-(2-oxoethylidene)acetamide;hydroxide.

What is the SMILES notation for potassium;acetyl acetate;5-bromopyridin-3-amine;bis(1-(5-bromo-3-pyridinyl)propan-2-one);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(5,6,7,8-tetrahydro-1,8-naphthyridin-3-ylboronic acid);N-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trichloro-N-(2-oxoethylidene)acetamide;hydroxide?

The canonical SMILES for potassium;acetyl acetate;5-bromopyridin-3-amine;bis(1-(5-bromo-3-pyridinyl)propan-2-one);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(5,6,7,8-tetrahydro-1,8-naphthyridin-3-ylboronic acid);N-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trichloro-N-(2-oxoethylidene)acetamide;hydroxide is Brc1cnc2c(c1)CCCN2.CC(=O)Cc1cncc(Br)c1.CC(=O)Cc1cncc(Br)c1.CC(=O)Nc1cncc(-c2cnc3c(c2)CCCN3)c1.CC(=O)OC(C)=O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.NC(=O)Nc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.Nc1cncc(Br)c1.O=C/C=N/C(=O)C(Cl)(Cl)Cl.OB(O)c1cnc2c(c1)CCCN2.OB(O)c1cnc2c(c1)CCCN2.[K+].[OH-].

What is the InChIKey of potassium;acetyl acetate;5-bromopyridin-3-amine;bis(1-(5-bromo-3-pyridinyl)propan-2-one);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(5,6,7,8-tetrahydro-1,8-naphthyridin-3-ylboronic acid);N-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trichloro-N-(2-oxoethylidene)acetamide;hydroxide?

The InChIKey is IBPPJCISPFTHFW-OLRPTMMPSA-M. The full InChI is InChI=1S/C15H16N6O2.C15H16N4O.C12H24B2O4.2C8H11BN2O2.C8H9BrN2.2C8H8BrNO.C5H5BrN2.C4H2Cl3NO2.C4H6O3.K.H2O/c16-14(22)20-12-5-11(6-18-8-12)10-4-9-2-1-3-21(15(17)23)13(9)19-7-10;1-10(20)19-14-6-13(7-16-9-14)12-5-11-3-2-4-17-15(11)18-8-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*12-9(13)7-4-6-2-1-3-10-8(6)11-5-7;9-7-4-6-2-1-3-10-8(6)11-5-7;2*1-6(11)2-7-3-8(9)5-10-4-7;6-4-1-5(7)3-8-2-4;5-4(6,7)3(10)8-1-2-9;1-3(5)7-4(2)6;;/h4-8H,1-3H2,(H2,17,23)(H3,16,20,22);5-9H,2-4H2,1H3,(H,17,18)(H,19,20);1-8H3;2*4-5,12-13H,1-3H2,(H,10,11);4-5H,1-3H2,(H,10,11);2*3-5H,2H2,1H3;1-3H,7H2;1-2H;1-2H3;;1H2/q;;;;;;;;;;;+1;/p-1/b;;;;;;;;;8-1+;;;.

What are the key properties of potassium;acetyl acetate;5-bromopyridin-3-amine;bis(1-(5-bromo-3-pyridinyl)propan-2-one);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(5,6,7,8-tetrahydro-1,8-naphthyridin-3-ylboronic acid);N-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trichloro-N-(2-oxoethylidene)acetamide;hydroxide?

potassium;acetyl acetate;5-bromopyridin-3-amine;bis(1-(5-bromo-3-pyridinyl)propan-2-one);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(5,6,7,8-tetrahydro-1,8-naphthyridin-3-ylboronic acid);N-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trichloro-N-(2-oxoethylidene)acetamide;hydroxide has a molecular weight of 2365.43 g/mol, XLogP of 10.07, 12 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;acetyl acetate;5-bromopyridin-3-amine;bis(1-(5-bromo-3-pyridinyl)propan-2-one);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;bis(5,6,7,8-tetrahydro-1,8-naphthyridin-3-ylboronic acid);N-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trichloro-N-(2-oxoethylidene)acetamide;hydroxide is sourced from PubChem (CID 161290852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).