5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine-4-carboxamide

C44H49BBr2N10O4 — CID 159224672

About 5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine-4-carboxamide

5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 159224672) has the molecular formula C44H49BBr2N10O4 and a molecular weight of 952.56 g/mol. Its IUPAC name is 5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine-4-carboxamide
• PubChem CID: 159224672
• Molecular Formula: C44H49BBr2N10O4
• Molecular Weight: 952.56 g/mol
• Exact Mass: 950.24
• IUPAC Name: 5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine-4-carboxamide
• SMILES: Cc1ncc(N)cc1Br.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1B1OC(C)(C)C(C)(C)O1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1Br
• InChI: InChI=1S/C22H27BN4O3.C16H15BrN4O.C6H7BrN2/c1-14-17(23-29-21(4,5)22(6,7)30-23)11-16(12-26-14)27-19(28)15-8-9-25-18(10-15)20(2,3)13-24;1-10-13(17)7-12(8-20-10)21-15(22)11-4-5-19-14(6-11)16(2,3)9-18;1-4-6(7)2-5(8)3-9-4/h8-12H,1-7H3,(H,27,28);4-8H,1-3H3,(H,21,22);2-3H,8H2,1H3
• InChIKey: KSDFMDNEXRZNDK-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 214.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	952.56
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine-4-carboxamide?

The IUPAC name of 5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine-4-carboxamide (CID 159224672) is 5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine-4-carboxamide.

What is the SMILES notation for 5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine-4-carboxamide?

The canonical SMILES for 5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine-4-carboxamide is Cc1ncc(N)cc1Br.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1B1OC(C)(C)C(C)(C)O1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1Br.

What is the InChIKey of 5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine-4-carboxamide?

The InChIKey is KSDFMDNEXRZNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BN4O3.C16H15BrN4O.C6H7BrN2/c1-14-17(23-29-21(4,5)22(6,7)30-23)11-16(12-26-14)27-19(28)15-8-9-25-18(10-15)20(2,3)13-24;1-10-13(17)7-12(8-20-10)21-15(22)11-4-5-19-14(6-11)16(2,3)9-18;1-4-6(7)2-5(8)3-9-4/h8-12H,1-7H3,(H,27,28);4-8H,1-3H3,(H,21,22);2-3H,8H2,1H3.

What are the key properties of 5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine-4-carboxamide?

5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 952.56 g/mol, XLogP of 8.47, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 159224672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).