2-[4-[9-(6-amino-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(6-amino-3-pyridinyl)-3-methyl-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-[6-(hydroxymethyl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[9-(6-methyl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile

C103H80N26O9 — CID 158521110

About 2-[4-[9-(6-amino-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(6-amino-3-pyridinyl)-3-methyl-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-[6-(hydroxymethyl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[9-(6-methyl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile

2-[4-[9-(6-amino-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(6-amino-3-pyridinyl)-3-methyl-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-[6-(hydroxymethyl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[9-(6-methyl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile (PubChem CID 158521110) has the molecular formula C103H80N26O9 and a molecular weight of 1825.95 g/mol. Its IUPAC name is 2-[4-[9-(6-amino-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(6-amino-3-pyridinyl)-3-methyl-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-[6-(hydroxymethyl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[9-(6-methyl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile.

Molecular Properties

• Compound Name: 2-[4-[9-(6-amino-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(6-amino-3-pyridinyl)-3-methyl-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-[6-(hydroxymethyl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[9-(6-methyl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
• PubChem CID: 158521110
• Molecular Formula: C103H80N26O9
• Molecular Weight: 1825.95 g/mol
• Exact Mass: 1824.66
• IUPAC Name: 2-[4-[9-(6-amino-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(6-amino-3-pyridinyl)-3-methyl-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-[6-(hydroxymethyl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[9-(6-methyl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
• SMILES: CC(C)(C#N)c1ccc(-n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccc(CO)nc5)nc4c32)cc1.CC(C)(C#N)c1ccc(-n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccc(N)nc5)nc4c32)cc1.Cc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1.Cn1c(=O)c2cnc3ccc(-c4ccc(N)nc4)nc3c2n(-c2ccc(C(C)(C)C#N)cc2)c1=O
• InChI: InChI=1S/C26H21N7O2.C26H20N6O3.C26H20N6O2.C25H19N7O2/c1-26(2,14-27)16-5-7-17(8-6-16)33-23-18(24(34)32(3)25(33)35)13-29-20-10-9-19(31-22(20)23)15-4-11-21(28)30-12-15;1-26(2,14-27)16-4-7-18(8-5-16)32-23-19(24(34)31-25(32)35)12-29-21-10-9-20(30-22(21)23)15-3-6-17(13-33)28-11-15;1-15-4-5-16(12-28-15)20-10-11-21-22(30-20)23-19(13-29-21)24(33)31-25(34)32(23)18-8-6-17(7-9-18)26(2,3)14-27;1-25(2,13-26)15-4-6-16(7-5-15)32-22-17(23(33)31-24(32)34)12-28-19-9-8-18(30-21(19)22)14-3-10-20(27)29-11-14/h4-13H,1-3H3,(H2,28,30);3-12,33H,13H2,1-2H3,(H,31,34,35);4-13H,1-3H3,(H,31,33,34);3-12H,1-2H3,(H2,27,29)(H,31,33,34)
• InChIKey: HMFMESLSGPKHFA-UHFFFAOYSA-N
• XLogP: 12.92
• TPSA: 530.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 13
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1825.95
LogP ≤ 5	12.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(6-amino-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(6-amino-3-pyridinyl)-3-methyl-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-[6-(hydroxymethyl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[9-(6-methyl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?

The IUPAC name of 2-[4-[9-(6-amino-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(6-amino-3-pyridinyl)-3-methyl-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-[6-(hydroxymethyl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[9-(6-methyl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile (CID 158521110) is 2-[4-[9-(6-amino-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(6-amino-3-pyridinyl)-3-methyl-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-[6-(hydroxymethyl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[9-(6-methyl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile.

What is the SMILES notation for 2-[4-[9-(6-amino-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(6-amino-3-pyridinyl)-3-methyl-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-[6-(hydroxymethyl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[9-(6-methyl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?

The canonical SMILES for 2-[4-[9-(6-amino-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(6-amino-3-pyridinyl)-3-methyl-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-[6-(hydroxymethyl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[9-(6-methyl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile is CC(C)(C#N)c1ccc(-n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccc(CO)nc5)nc4c32)cc1.CC(C)(C#N)c1ccc(-n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccc(N)nc5)nc4c32)cc1.Cc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1.Cn1c(=O)c2cnc3ccc(-c4ccc(N)nc4)nc3c2n(-c2ccc(C(C)(C)C#N)cc2)c1=O.

What is the InChIKey of 2-[4-[9-(6-amino-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(6-amino-3-pyridinyl)-3-methyl-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-[6-(hydroxymethyl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[9-(6-methyl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?

The InChIKey is HMFMESLSGPKHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O2.C26H20N6O3.C26H20N6O2.C25H19N7O2/c1-26(2,14-27)16-5-7-17(8-6-16)33-23-18(24(34)32(3)25(33)35)13-29-20-10-9-19(31-22(20)23)15-4-11-21(28)30-12-15;1-26(2,14-27)16-4-7-18(8-5-16)32-23-19(24(34)31-25(32)35)12-29-21-10-9-20(30-22(21)23)15-3-6-17(13-33)28-11-15;1-15-4-5-16(12-28-15)20-10-11-21-22(30-20)23-19(13-29-21)24(33)31-25(34)32(23)18-8-6-17(7-9-18)26(2,3)14-27;1-25(2,13-26)15-4-6-16(7-5-15)32-22-17(23(33)31-24(32)34)12-28-19-9-8-18(30-21(19)22)14-3-10-20(27)29-11-14/h4-13H,1-3H3,(H2,28,30);3-12,33H,13H2,1-2H3,(H,31,34,35);4-13H,1-3H3,(H,31,33,34);3-12H,1-2H3,(H2,27,29)(H,31,33,34).

What are the key properties of 2-[4-[9-(6-amino-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(6-amino-3-pyridinyl)-3-methyl-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-[6-(hydroxymethyl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[9-(6-methyl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?

2-[4-[9-(6-amino-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(6-amino-3-pyridinyl)-3-methyl-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-[6-(hydroxymethyl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[9-(6-methyl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile has a molecular weight of 1825.95 g/mol, XLogP of 12.92, 13 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[9-(6-amino-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(6-amino-3-pyridinyl)-3-methyl-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-[6-(hydroxymethyl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[9-(6-methyl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile is sourced from PubChem (CID 158521110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).