5-bromo-2-isocyanopyridine;2-isocyano-5-piperidin-1-ylpyridine;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;(5-piperidin-1-yl-2-pyridinyl)methanamine

C59H64BrN15O3 — CID 159682866

About 5-bromo-2-isocyanopyridine;2-isocyano-5-piperidin-1-ylpyridine;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;(5-piperidin-1-yl-2-pyridinyl)methanamine

5-bromo-2-isocyanopyridine;2-isocyano-5-piperidin-1-ylpyridine;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;(5-piperidin-1-yl-2-pyridinyl)methanamine (PubChem CID 159682866) has the molecular formula C59H64BrN15O3 and a molecular weight of 1111.17 g/mol. Its IUPAC name is 5-bromo-2-isocyanopyridine;2-isocyano-5-piperidin-1-ylpyridine;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;(5-piperidin-1-yl-2-pyridinyl)methanamine.

Molecular Properties

• Compound Name: 5-bromo-2-isocyanopyridine;2-isocyano-5-piperidin-1-ylpyridine;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;(5-piperidin-1-yl-2-pyridinyl)methanamine
• PubChem CID: 159682866
• Molecular Formula: C59H64BrN15O3
• Molecular Weight: 1111.17 g/mol
• Exact Mass: 1109.45
• IUPAC Name: 5-bromo-2-isocyanopyridine;2-isocyano-5-piperidin-1-ylpyridine;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;(5-piperidin-1-yl-2-pyridinyl)methanamine
• SMILES: Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCCCC2)cn1.Cc1nc2ncccc2cc1C(=O)O.NCc1ccc(N2CCCCC2)cn1.[C-]#[N+]c1ccc(Br)cn1.[C-]#[N+]c1ccc(N2CCCCC2)cn1
• InChI: InChI=1S/C21H23N5O.C11H13N3.C11H17N3.C10H8N2O2.C6H3BrN2/c1-15-19(12-16-6-5-9-22-20(16)25-15)21(27)24-13-17-7-8-18(14-23-17)26-10-3-2-4-11-26;1-12-11-6-5-10(9-13-11)14-7-3-2-4-8-14;12-8-10-4-5-11(9-13-10)14-6-2-1-3-7-14;1-6-8(10(13)14)5-7-3-2-4-11-9(7)12-6;1-8-6-3-2-5(7)4-9-6/h5-9,12,14H,2-4,10-11,13H2,1H3,(H,24,27);5-6,9H,2-4,7-8H2;4-5,9H,1-3,6-8,12H2;2-5H,1H3,(H,13,14);2-4H
• InChIKey: MVKODMIYANRKJG-UHFFFAOYSA-N
• XLogP: 11.44
• TPSA: 213.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1111.17
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-isocyanopyridine;2-isocyano-5-piperidin-1-ylpyridine;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;(5-piperidin-1-yl-2-pyridinyl)methanamine?

The IUPAC name of 5-bromo-2-isocyanopyridine;2-isocyano-5-piperidin-1-ylpyridine;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;(5-piperidin-1-yl-2-pyridinyl)methanamine (CID 159682866) is 5-bromo-2-isocyanopyridine;2-isocyano-5-piperidin-1-ylpyridine;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;(5-piperidin-1-yl-2-pyridinyl)methanamine.

What is the SMILES notation for 5-bromo-2-isocyanopyridine;2-isocyano-5-piperidin-1-ylpyridine;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;(5-piperidin-1-yl-2-pyridinyl)methanamine?

The canonical SMILES for 5-bromo-2-isocyanopyridine;2-isocyano-5-piperidin-1-ylpyridine;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;(5-piperidin-1-yl-2-pyridinyl)methanamine is Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCCCC2)cn1.Cc1nc2ncccc2cc1C(=O)O.NCc1ccc(N2CCCCC2)cn1.[C-]#[N+]c1ccc(Br)cn1.[C-]#[N+]c1ccc(N2CCCCC2)cn1.

What is the InChIKey of 5-bromo-2-isocyanopyridine;2-isocyano-5-piperidin-1-ylpyridine;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;(5-piperidin-1-yl-2-pyridinyl)methanamine?

The InChIKey is MVKODMIYANRKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.C11H13N3.C11H17N3.C10H8N2O2.C6H3BrN2/c1-15-19(12-16-6-5-9-22-20(16)25-15)21(27)24-13-17-7-8-18(14-23-17)26-10-3-2-4-11-26;1-12-11-6-5-10(9-13-11)14-7-3-2-4-8-14;12-8-10-4-5-11(9-13-10)14-6-2-1-3-7-14;1-6-8(10(13)14)5-7-3-2-4-11-9(7)12-6;1-8-6-3-2-5(7)4-9-6/h5-9,12,14H,2-4,10-11,13H2,1H3,(H,24,27);5-6,9H,2-4,7-8H2;4-5,9H,1-3,6-8,12H2;2-5H,1H3,(H,13,14);2-4H.

What are the key properties of 5-bromo-2-isocyanopyridine;2-isocyano-5-piperidin-1-ylpyridine;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;(5-piperidin-1-yl-2-pyridinyl)methanamine?

5-bromo-2-isocyanopyridine;2-isocyano-5-piperidin-1-ylpyridine;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;(5-piperidin-1-yl-2-pyridinyl)methanamine has a molecular weight of 1111.17 g/mol, XLogP of 11.44, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-isocyanopyridine;2-isocyano-5-piperidin-1-ylpyridine;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;(5-piperidin-1-yl-2-pyridinyl)methanamine is sourced from PubChem (CID 159682866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).