6-aminopyridine-3-carboxylic acid;6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;5-fluoropyridin-2-amine

C58H50BrF4N15O4 — CID 158371918

About 6-aminopyridine-3-carboxylic acid;6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;5-fluoropyridin-2-amine

6-aminopyridine-3-carboxylic acid;6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;5-fluoropyridin-2-amine (PubChem CID 158371918) has the molecular formula C58H50BrF4N15O4 and a molecular weight of 1177.03 g/mol. Its IUPAC name is 6-aminopyridine-3-carboxylic acid;6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;5-fluoropyridin-2-amine.

Molecular Properties

• Compound Name: 6-aminopyridine-3-carboxylic acid;6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;5-fluoropyridin-2-amine
• PubChem CID: 158371918
• Molecular Formula: C58H50BrF4N15O4
• Molecular Weight: 1177.03 g/mol
• Exact Mass: 1175.33
• IUPAC Name: 6-aminopyridine-3-carboxylic acid;6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;5-fluoropyridin-2-amine
• SMILES: Fc1ccc(NCc2ccc(NCc3ccccc3)nc2)nc1.Nc1ccc(C(=O)O)cn1.Nc1ccc(F)cn1.O=C(Nc1ccc(F)cn1)c1ccc(Br)nc1.O=C(Nc1ccc(F)cn1)c1ccc(NCc2ccccc2)nc1
• InChI: InChI=1S/C18H15FN4O.C18H17FN4.C11H7BrFN3O.C6H6N2O2.C5H5FN2/c19-15-7-9-17(22-12-15)23-18(24)14-6-8-16(21-11-14)20-10-13-4-2-1-3-5-13;19-16-7-9-18(23-13-16)22-12-15-6-8-17(21-11-15)20-10-14-4-2-1-3-5-14;12-9-3-1-7(5-14-9)11(17)16-10-4-2-8(13)6-15-10;7-5-2-1-4(3-8-5)6(9)10;6-4-1-2-5(7)8-3-4/h1-9,11-12H,10H2,(H,20,21)(H,22,23,24);1-9,11,13H,10,12H2,(H,20,21)(H,22,23);1-6H,(H,15,16,17);1-3H,(H2,7,8)(H,9,10);1-3H,(H2,7,8)
• InChIKey: GUSFUPJAABQQJQ-UHFFFAOYSA-N
• XLogP: 11.12
• TPSA: 286.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1177.03
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-aminopyridine-3-carboxylic acid;6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;5-fluoropyridin-2-amine?

The IUPAC name of 6-aminopyridine-3-carboxylic acid;6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;5-fluoropyridin-2-amine (CID 158371918) is 6-aminopyridine-3-carboxylic acid;6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;5-fluoropyridin-2-amine.

What is the SMILES notation for 6-aminopyridine-3-carboxylic acid;6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;5-fluoropyridin-2-amine?

The canonical SMILES for 6-aminopyridine-3-carboxylic acid;6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;5-fluoropyridin-2-amine is Fc1ccc(NCc2ccc(NCc3ccccc3)nc2)nc1.Nc1ccc(C(=O)O)cn1.Nc1ccc(F)cn1.O=C(Nc1ccc(F)cn1)c1ccc(Br)nc1.O=C(Nc1ccc(F)cn1)c1ccc(NCc2ccccc2)nc1.

What is the InChIKey of 6-aminopyridine-3-carboxylic acid;6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;5-fluoropyridin-2-amine?

The InChIKey is GUSFUPJAABQQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O.C18H17FN4.C11H7BrFN3O.C6H6N2O2.C5H5FN2/c19-15-7-9-17(22-12-15)23-18(24)14-6-8-16(21-11-14)20-10-13-4-2-1-3-5-13;19-16-7-9-18(23-13-16)22-12-15-6-8-17(21-11-15)20-10-14-4-2-1-3-5-14;12-9-3-1-7(5-14-9)11(17)16-10-4-2-8(13)6-15-10;7-5-2-1-4(3-8-5)6(9)10;6-4-1-2-5(7)8-3-4/h1-9,11-12H,10H2,(H,20,21)(H,22,23,24);1-9,11,13H,10,12H2,(H,20,21)(H,22,23);1-6H,(H,15,16,17);1-3H,(H2,7,8)(H,9,10);1-3H,(H2,7,8).

What are the key properties of 6-aminopyridine-3-carboxylic acid;6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;5-fluoropyridin-2-amine?

6-aminopyridine-3-carboxylic acid;6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;5-fluoropyridin-2-amine has a molecular weight of 1177.03 g/mol, XLogP of 11.12, 14 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-aminopyridine-3-carboxylic acid;6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;5-fluoropyridin-2-amine is sourced from PubChem (CID 158371918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).