5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine

C118H100F3N21S3 — CID 159489591

About 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine

5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine (PubChem CID 159489591) has the molecular formula C118H100F3N21S3 and a molecular weight of 1965.44 g/mol. Its IUPAC name is 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine.

Molecular Properties

• Compound Name: 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine
• PubChem CID: 159489591
• Molecular Formula: C118H100F3N21S3
• Molecular Weight: 1965.44 g/mol
• Exact Mass: 1963.76
• IUPAC Name: 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine
• SMILES: Cc1cc(-c2ncc(N)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cccc(-c2ncc(N)cc2-c2ccc3ncsc3c2)c1.Nc1cnc(-c2cccc(C3CC3)c2)c(-c2ccc3ncsc3c2)c1.[H]/N=C/c1cc(-c2cc(N)cnc2-c2ccc(F)c(C)c2)ccc1N.[H]/N=C/c1cc(-c2ccc(N)nc2-c2ccc(F)c(C)c2)ccc1N.[H]/N=C/c1cc(-c2ccc(N)nc2-c2cccc(C3CC3)c2)ccc1N
• InChI: InChI=1S/C21H20N4.C21H17N3S.2C19H17FN4.C19H14FN3S.C19H15N3S/c22-12-17-11-15(6-8-19(17)23)18-7-9-20(24)25-21(18)16-3-1-2-14(10-16)13-4-5-13;22-17-10-18(15-6-7-19-20(9-15)25-12-24-19)21(23-11-17)16-3-1-2-14(8-16)13-4-5-13;1-11-8-13(2-5-16(11)20)19-15(4-7-18(23)24-19)12-3-6-17(22)14(9-12)10-21;1-11-6-13(2-4-17(11)20)19-16(8-15(22)10-24-19)12-3-5-18(23)14(7-12)9-21;1-11-6-13(2-4-16(11)20)19-15(8-14(21)9-22-19)12-3-5-17-18(7-12)24-10-23-17;1-12-3-2-4-14(7-12)19-16(9-15(20)10-21-19)13-5-6-17-18(8-13)23-11-22-17/h1-3,6-13,22H,4-5,23H2,(H2,24,25);1-3,6-13H,4-5,22H2;2-10,21H,22H2,1H3,(H2,23,24);2-10,21H,22-23H2,1H3;2-10H,21H2,1H3;2-11H,20H2,1H3/b22-12+;;21-10+;21-9+
• InChIKey: LYAAFRKRFUKHMP-LZHDVFACSA-N
• XLogP: 27.96
• TPSA: 421.74 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1965.44
LogP ≤ 5	27.96
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine?

The IUPAC name of 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine (CID 159489591) is 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine.

What is the SMILES notation for 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine?

The canonical SMILES for 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine is Cc1cc(-c2ncc(N)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cccc(-c2ncc(N)cc2-c2ccc3ncsc3c2)c1.Nc1cnc(-c2cccc(C3CC3)c2)c(-c2ccc3ncsc3c2)c1.[H]/N=C/c1cc(-c2cc(N)cnc2-c2ccc(F)c(C)c2)ccc1N.[H]/N=C/c1cc(-c2ccc(N)nc2-c2ccc(F)c(C)c2)ccc1N.[H]/N=C/c1cc(-c2ccc(N)nc2-c2cccc(C3CC3)c2)ccc1N.

What is the InChIKey of 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine?

The InChIKey is LYAAFRKRFUKHMP-LZHDVFACSA-N. The full InChI is InChI=1S/C21H20N4.C21H17N3S.2C19H17FN4.C19H14FN3S.C19H15N3S/c22-12-17-11-15(6-8-19(17)23)18-7-9-20(24)25-21(18)16-3-1-2-14(10-16)13-4-5-13;22-17-10-18(15-6-7-19-20(9-15)25-12-24-19)21(23-11-17)16-3-1-2-14(8-16)13-4-5-13;1-11-8-13(2-5-16(11)20)19-15(4-7-18(23)24-19)12-3-6-17(22)14(9-12)10-21;1-11-6-13(2-4-17(11)20)19-16(8-15(22)10-24-19)12-3-5-18(23)14(7-12)9-21;1-11-6-13(2-4-16(11)20)19-15(8-14(21)9-22-19)12-3-5-17-18(7-12)24-10-23-17;1-12-3-2-4-14(7-12)19-16(9-15(20)10-21-19)13-5-6-17-18(8-13)23-11-22-17/h1-3,6-13,22H,4-5,23H2,(H2,24,25);1-3,6-13H,4-5,22H2;2-10,21H,22H2,1H3,(H2,23,24);2-10,21H,22-23H2,1H3;2-10H,21H2,1H3;2-11H,20H2,1H3/b22-12+;;21-10+;21-9+;;.

What are the key properties of 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine?

5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine has a molecular weight of 1965.44 g/mol, XLogP of 27.96, 17 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine is sourced from PubChem (CID 159489591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).