5-bromo-2-methylpyridine-3-carboxylic acid;cyclopropylmethanamine;N-(cyclopropylmethyl)-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine

C65H73BBrN17O7 — CID 158814982

About 5-bromo-2-methylpyridine-3-carboxylic acid;cyclopropylmethanamine;N-(cyclopropylmethyl)-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine

5-bromo-2-methylpyridine-3-carboxylic acid;cyclopropylmethanamine;N-(cyclopropylmethyl)-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 158814982) has the molecular formula C65H73BBrN17O7 and a molecular weight of 1295.13 g/mol. Its IUPAC name is 5-bromo-2-methylpyridine-3-carboxylic acid;cyclopropylmethanamine;N-(cyclopropylmethyl)-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-bromo-2-methylpyridine-3-carboxylic acid;cyclopropylmethanamine;N-(cyclopropylmethyl)-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine
• PubChem CID: 158814982
• Molecular Formula: C65H73BBrN17O7
• Molecular Weight: 1295.13 g/mol
• Exact Mass: 1293.52
• IUPAC Name: 5-bromo-2-methylpyridine-3-carboxylic acid;cyclopropylmethanamine;N-(cyclopropylmethyl)-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine
• SMILES: Cc1ncc(Br)cc1C(=O)O.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)NCC4CC4)c3)ccn2)n1.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)O)c3)ccn2)n1.Cc1nccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)n1.NCC1CC1
• InChI: InChI=1S/C21H22N6O.C17H15N5O2.C16H21BN4O2.C7H6BrNO2.C4H9N/c1-13-18(21(28)25-11-15-3-4-15)9-17(12-24-13)16-5-7-23-20(10-16)27-19-6-8-22-14(2)26-19;1-10-14(17(23)24)7-13(9-20-10)12-3-5-19-16(8-12)22-15-4-6-18-11(2)21-15;1-11-18-9-7-13(20-11)21-14-10-12(6-8-19-14)17-22-15(2,3)16(4,5)23-17;1-4-6(7(10)11)2-5(8)3-9-4;5-3-4-1-2-4/h5-10,12,15H,3-4,11H2,1-2H3,(H,25,28)(H,22,23,26,27);3-9H,1-2H3,(H,23,24)(H,18,19,21,22);6-10H,1-5H3,(H,18,19,20,21);2-3H,1H3,(H,10,11);4H,1-3,5H2
• InChIKey: IVDQAUGQWPRQNO-UHFFFAOYSA-N
• XLogP: 10.85
• TPSA: 338.95 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1295.13
LogP ≤ 5	10.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylpyridine-3-carboxylic acid;cyclopropylmethanamine;N-(cyclopropylmethyl)-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine?

The IUPAC name of 5-bromo-2-methylpyridine-3-carboxylic acid;cyclopropylmethanamine;N-(cyclopropylmethyl)-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine (CID 158814982) is 5-bromo-2-methylpyridine-3-carboxylic acid;cyclopropylmethanamine;N-(cyclopropylmethyl)-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine.

What is the SMILES notation for 5-bromo-2-methylpyridine-3-carboxylic acid;cyclopropylmethanamine;N-(cyclopropylmethyl)-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine?

The canonical SMILES for 5-bromo-2-methylpyridine-3-carboxylic acid;cyclopropylmethanamine;N-(cyclopropylmethyl)-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine is Cc1ncc(Br)cc1C(=O)O.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)NCC4CC4)c3)ccn2)n1.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)O)c3)ccn2)n1.Cc1nccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)n1.NCC1CC1.

What is the InChIKey of 5-bromo-2-methylpyridine-3-carboxylic acid;cyclopropylmethanamine;N-(cyclopropylmethyl)-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine?

The InChIKey is IVDQAUGQWPRQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O.C17H15N5O2.C16H21BN4O2.C7H6BrNO2.C4H9N/c1-13-18(21(28)25-11-15-3-4-15)9-17(12-24-13)16-5-7-23-20(10-16)27-19-6-8-22-14(2)26-19;1-10-14(17(23)24)7-13(9-20-10)12-3-5-19-16(8-12)22-15-4-6-18-11(2)21-15;1-11-18-9-7-13(20-11)21-14-10-12(6-8-19-14)17-22-15(2,3)16(4,5)23-17;1-4-6(7(10)11)2-5(8)3-9-4;5-3-4-1-2-4/h5-10,12,15H,3-4,11H2,1-2H3,(H,25,28)(H,22,23,26,27);3-9H,1-2H3,(H,23,24)(H,18,19,21,22);6-10H,1-5H3,(H,18,19,20,21);2-3H,1H3,(H,10,11);4H,1-3,5H2.

What are the key properties of 5-bromo-2-methylpyridine-3-carboxylic acid;cyclopropylmethanamine;N-(cyclopropylmethyl)-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine?

5-bromo-2-methylpyridine-3-carboxylic acid;cyclopropylmethanamine;N-(cyclopropylmethyl)-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 1295.13 g/mol, XLogP of 10.85, 15 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-methylpyridine-3-carboxylic acid;cyclopropylmethanamine;N-(cyclopropylmethyl)-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 158814982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).