1-[3-[7-(dimethylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-phenylurea

C25H25N5O2 — CID 59212488

About 1-[3-[7-(dimethylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-phenylurea

1-[3-[7-(dimethylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-phenylurea (PubChem CID 59212488) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[3-[7-(dimethylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-phenylurea.

Molecular Properties

• Compound Name: 1-[3-[7-(dimethylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-phenylurea
• PubChem CID: 59212488
• Molecular Formula: C25H25N5O2
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.20
• IUPAC Name: 1-[3-[7-(dimethylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-phenylurea
• SMILES: Cc1ccc(NC(=O)Nc2ccccc2)cc1-c1cc2cnc(N(C)C)cc2n(C)c1=O
• InChI: InChI=1S/C25H25N5O2/c1-16-10-11-19(28-25(32)27-18-8-6-5-7-9-18)13-20(16)21-12-17-15-26-23(29(2)3)14-22(17)30(4)24(21)31/h5-15H,1-4H3,(H2,27,28,32)
• InChIKey: WGNXGJTWJAAGTE-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(dimethylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-phenylurea?

The IUPAC name of 1-[3-[7-(dimethylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-phenylurea (CID 59212488) is 1-[3-[7-(dimethylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-phenylurea.

What is the SMILES notation for 1-[3-[7-(dimethylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-phenylurea?

The canonical SMILES for 1-[3-[7-(dimethylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-phenylurea is Cc1ccc(NC(=O)Nc2ccccc2)cc1-c1cc2cnc(N(C)C)cc2n(C)c1=O.

What is the InChIKey of 1-[3-[7-(dimethylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-phenylurea?

The InChIKey is WGNXGJTWJAAGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-16-10-11-19(28-25(32)27-18-8-6-5-7-9-18)13-20(16)21-12-17-15-26-23(29(2)3)14-22(17)30(4)24(21)31/h5-15H,1-4H3,(H2,27,28,32).

What are the key properties of 1-[3-[7-(dimethylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-phenylurea?

1-[3-[7-(dimethylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-phenylurea has a molecular weight of 427.51 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[7-(dimethylamino)-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-phenylurea is sourced from PubChem (CID 59212488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).