6-(4-isocyanophenyl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;3-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]benzonitrile;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(6-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrimidin-5-yl-2,7-naphthyridin-1-amine

C140H113N21 — CID 157297891

About 6-(4-isocyanophenyl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;3-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]benzonitrile;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(6-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrimidin-5-yl-2,7-naphthyridin-1-amine

6-(4-isocyanophenyl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;3-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]benzonitrile;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(6-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrimidin-5-yl-2,7-naphthyridin-1-amine (PubChem CID 157297891) has the molecular formula C140H113N21 and a molecular weight of 2089.59 g/mol. Its IUPAC name is 6-(4-isocyanophenyl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;3-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]benzonitrile;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(6-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrimidin-5-yl-2,7-naphthyridin-1-amine.

Molecular Properties

• Compound Name: 6-(4-isocyanophenyl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;3-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]benzonitrile;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(6-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrimidin-5-yl-2,7-naphthyridin-1-amine
• PubChem CID: 157297891
• Molecular Formula: C140H113N21
• Molecular Weight: 2089.59 g/mol
• Exact Mass: 2087.95
• IUPAC Name: 6-(4-isocyanophenyl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;3-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]benzonitrile;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(6-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrimidin-5-yl-2,7-naphthyridin-1-amine
• SMILES: Cc1cccc(-c2ccc(CNc3nccc4cc(-c5ccc(C)nc5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(-c5cccc(C#N)c5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(-c5cncc(C)c5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(-c5cncnc5)ncc34)cc2)c1.[C-]#[N+]c1ccc(-c2cc3ccnc(NCc4ccc(-c5cccc(C)c5)cc4)c3cn2)cc1
• InChI: InChI=1S/2C29H22N4.2C28H24N4.C26H21N5/c1-20-4-3-5-24(16-20)22-8-6-21(7-9-22)18-33-29-27-19-32-28(17-25(27)14-15-31-29)23-10-12-26(30-2)13-11-23;1-20-4-2-6-24(14-20)23-10-8-21(9-11-23)18-33-29-27-19-32-28(16-25(27)12-13-31-29)26-7-3-5-22(15-26)17-30;1-19-4-3-5-23(14-19)22-10-7-21(8-11-22)16-32-28-26-18-31-27(15-24(26)12-13-29-28)25-9-6-20(2)30-17-25;1-19-4-3-5-23(12-19)22-8-6-21(7-9-22)16-32-28-26-18-31-27(14-24(26)10-11-30-28)25-13-20(2)15-29-17-25;1-18-3-2-4-21(11-18)20-7-5-19(6-8-20)13-31-26-24-16-30-25(12-22(24)9-10-29-26)23-14-27-17-28-15-23/h3-17,19H,18H2,1H3,(H,31,33);2-16,19H,18H2,1H3,(H,31,33);3-15,17-18H,16H2,1-2H3,(H,29,32);3-15,17-18H,16H2,1-2H3,(H,30,32);2-12,14-17H,13H2,1H3,(H,29,31)
• InChIKey: BBNZDZQBBNDUCZ-UHFFFAOYSA-N
• XLogP: 33.04
• TPSA: 268.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2089.59
LogP ≤ 5	33.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-isocyanophenyl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;3-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]benzonitrile;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(6-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrimidin-5-yl-2,7-naphthyridin-1-amine?

The IUPAC name of 6-(4-isocyanophenyl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;3-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]benzonitrile;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(6-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrimidin-5-yl-2,7-naphthyridin-1-amine (CID 157297891) is 6-(4-isocyanophenyl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;3-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]benzonitrile;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(6-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrimidin-5-yl-2,7-naphthyridin-1-amine.

What is the SMILES notation for 6-(4-isocyanophenyl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;3-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]benzonitrile;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(6-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrimidin-5-yl-2,7-naphthyridin-1-amine?

The canonical SMILES for 6-(4-isocyanophenyl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;3-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]benzonitrile;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(6-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrimidin-5-yl-2,7-naphthyridin-1-amine is Cc1cccc(-c2ccc(CNc3nccc4cc(-c5ccc(C)nc5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(-c5cccc(C#N)c5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(-c5cncc(C)c5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(-c5cncnc5)ncc34)cc2)c1.[C-]#[N+]c1ccc(-c2cc3ccnc(NCc4ccc(-c5cccc(C)c5)cc4)c3cn2)cc1.

What is the InChIKey of 6-(4-isocyanophenyl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;3-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]benzonitrile;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(6-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrimidin-5-yl-2,7-naphthyridin-1-amine?

The InChIKey is BBNZDZQBBNDUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H22N4.2C28H24N4.C26H21N5/c1-20-4-3-5-24(16-20)22-8-6-21(7-9-22)18-33-29-27-19-32-28(17-25(27)14-15-31-29)23-10-12-26(30-2)13-11-23;1-20-4-2-6-24(14-20)23-10-8-21(9-11-23)18-33-29-27-19-32-28(16-25(27)12-13-31-29)26-7-3-5-22(15-26)17-30;1-19-4-3-5-23(14-19)22-10-7-21(8-11-22)16-32-28-26-18-31-27(15-24(26)12-13-29-28)25-9-6-20(2)30-17-25;1-19-4-3-5-23(12-19)22-8-6-21(7-9-22)16-32-28-26-18-31-27(14-24(26)10-11-30-28)25-13-20(2)15-29-17-25;1-18-3-2-4-21(11-18)20-7-5-19(6-8-20)13-31-26-24-16-30-25(12-22(24)9-10-29-26)23-14-27-17-28-15-23/h3-17,19H,18H2,1H3,(H,31,33);2-16,19H,18H2,1H3,(H,31,33);3-15,17-18H,16H2,1-2H3,(H,29,32);3-15,17-18H,16H2,1-2H3,(H,30,32);2-12,14-17H,13H2,1H3,(H,29,31).

What are the key properties of 6-(4-isocyanophenyl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;3-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]benzonitrile;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(6-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrimidin-5-yl-2,7-naphthyridin-1-amine?

6-(4-isocyanophenyl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;3-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]benzonitrile;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(6-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrimidin-5-yl-2,7-naphthyridin-1-amine has a molecular weight of 2089.59 g/mol, XLogP of 33.04, 25 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-isocyanophenyl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;3-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]benzonitrile;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(6-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrimidin-5-yl-2,7-naphthyridin-1-amine is sourced from PubChem (CID 157297891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).