3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;3-[3-[4-methanimidoyl-3-(methylamino)phenyl]-2-pyridinyl]phenol;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine

C108H86F4N24O — CID 162079354

About 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;3-[3-[4-methanimidoyl-3-(methylamino)phenyl]-2-pyridinyl]phenol;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine

3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;3-[3-[4-methanimidoyl-3-(methylamino)phenyl]-2-pyridinyl]phenol;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine (PubChem CID 162079354) has the molecular formula C108H86F4N24O and a molecular weight of 1812.03 g/mol. Its IUPAC name is 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;3-[3-[4-methanimidoyl-3-(methylamino)phenyl]-2-pyridinyl]phenol;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine.

Molecular Properties

• Compound Name: 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;3-[3-[4-methanimidoyl-3-(methylamino)phenyl]-2-pyridinyl]phenol;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine
• PubChem CID: 162079354
• Molecular Formula: C108H86F4N24O
• Molecular Weight: 1812.03 g/mol
• Exact Mass: 1810.74
• IUPAC Name: 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;3-[3-[4-methanimidoyl-3-(methylamino)phenyl]-2-pyridinyl]phenol;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine
• SMILES: Cc1cc(-c2ncccc2-c2cnc3cn[nH]c3c2)ccc1F.[H]/N=C/c1ccc(-c2cccnc2-c2cccc(O)c2)cc1NC.[H]/N=C/c1ncc(-c2cccnc2-c2cc(C)ccc2F)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2ccc(F)c(F)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(C#N)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(C)c2)cc1N
• InChI: InChI=1S/C19H17N3O.C18H13FN4.C18H15FN4.C18H13N5.C18H16N4.C17H12F2N4/c1-21-18-11-13(7-8-15(18)12-20)17-6-3-9-22-19(17)14-4-2-5-16(23)10-14;1-11-7-12(4-5-15(11)19)18-14(3-2-6-20-18)13-8-16-17(21-9-13)10-22-23-16;1-11-4-5-15(19)14(7-11)18-13(3-2-6-22-18)12-8-16(21)17(9-20)23-10-12;19-9-12-3-1-4-13(7-12)18-15(5-2-6-22-18)14-8-16(21)17(10-20)23-11-14;1-12-4-2-5-13(8-12)18-15(6-3-7-21-18)14-9-16(20)17(10-19)22-11-14;18-13-4-3-10(6-14(13)19)17-12(2-1-5-22-17)11-7-15(21)16(8-20)23-9-11/h2-12,20-21,23H,1H3;2-10H,1H3,(H,22,23);2-10,20H,21H2,1H3;1-8,10-11,20H,21H2;2-11,19H,20H2,1H3;1-9,20H,21H2/b20-12+;;20-9+;20-10+;19-10+;20-8+
• InChIKey: ZCDAPNKVQTXPNL-OFUGKUCDSA-N
• XLogP: 22.76
• TPSA: 449.85 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1812.03
LogP ≤ 5	22.76
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;3-[3-[4-methanimidoyl-3-(methylamino)phenyl]-2-pyridinyl]phenol;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine?

The IUPAC name of 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;3-[3-[4-methanimidoyl-3-(methylamino)phenyl]-2-pyridinyl]phenol;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine (CID 162079354) is 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;3-[3-[4-methanimidoyl-3-(methylamino)phenyl]-2-pyridinyl]phenol;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine.

What is the SMILES notation for 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;3-[3-[4-methanimidoyl-3-(methylamino)phenyl]-2-pyridinyl]phenol;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine?

The canonical SMILES for 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;3-[3-[4-methanimidoyl-3-(methylamino)phenyl]-2-pyridinyl]phenol;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine is Cc1cc(-c2ncccc2-c2cnc3cn[nH]c3c2)ccc1F.[H]/N=C/c1ccc(-c2cccnc2-c2cccc(O)c2)cc1NC.[H]/N=C/c1ncc(-c2cccnc2-c2cc(C)ccc2F)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2ccc(F)c(F)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(C#N)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(C)c2)cc1N.

What is the InChIKey of 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;3-[3-[4-methanimidoyl-3-(methylamino)phenyl]-2-pyridinyl]phenol;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine?

The InChIKey is ZCDAPNKVQTXPNL-OFUGKUCDSA-N. The full InChI is InChI=1S/C19H17N3O.C18H13FN4.C18H15FN4.C18H13N5.C18H16N4.C17H12F2N4/c1-21-18-11-13(7-8-15(18)12-20)17-6-3-9-22-19(17)14-4-2-5-16(23)10-14;1-11-7-12(4-5-15(11)19)18-14(3-2-6-20-18)13-8-16-17(21-9-13)10-22-23-16;1-11-4-5-15(19)14(7-11)18-13(3-2-6-22-18)12-8-16(21)17(9-20)23-10-12;19-9-12-3-1-4-13(7-12)18-15(5-2-6-22-18)14-8-16(21)17(10-20)23-11-14;1-12-4-2-5-13(8-12)18-15(6-3-7-21-18)14-9-16(20)17(10-19)22-11-14;18-13-4-3-10(6-14(13)19)17-12(2-1-5-22-17)11-7-15(21)16(8-20)23-9-11/h2-12,20-21,23H,1H3;2-10H,1H3,(H,22,23);2-10,20H,21H2,1H3;1-8,10-11,20H,21H2;2-11,19H,20H2,1H3;1-9,20H,21H2/b20-12+;;20-9+;20-10+;19-10+;20-8+.

What are the key properties of 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;3-[3-[4-methanimidoyl-3-(methylamino)phenyl]-2-pyridinyl]phenol;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine?

3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;3-[3-[4-methanimidoyl-3-(methylamino)phenyl]-2-pyridinyl]phenol;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine has a molecular weight of 1812.03 g/mol, XLogP of 22.76, 18 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;3-[3-[4-methanimidoyl-3-(methylamino)phenyl]-2-pyridinyl]phenol;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine is sourced from PubChem (CID 162079354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).