2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide

C28H25N5O3 — CID 122312781

About 2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide

2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide (PubChem CID 122312781) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: 2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide
• PubChem CID: 122312781
• Molecular Formula: C28H25N5O3
• Molecular Weight: 479.54 g/mol
• Exact Mass: 479.20
• IUPAC Name: 2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide
• SMILES: CCOc1ccc2ccccc2c1C(=O)Nc1ccc(Oc2cc(-n3ccnc3C)nc(C)n2)cc1
• InChI: InChI=1S/C28H25N5O3/c1-4-35-24-14-9-20-7-5-6-8-23(20)27(24)28(34)32-21-10-12-22(13-11-21)36-26-17-25(30-18(2)31-26)33-16-15-29-19(33)3/h5-17H,4H2,1-3H3,(H,32,34)
• InChIKey: XXEBZJIPCYECCK-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.54
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide?

The IUPAC name of 2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide (CID 122312781) is 2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide.

What is the SMILES notation for 2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide?

The canonical SMILES for 2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1ccc(Oc2cc(-n3ccnc3C)nc(C)n2)cc1.

What is the InChIKey of 2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide?

The InChIKey is XXEBZJIPCYECCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3/c1-4-35-24-14-9-20-7-5-6-8-23(20)27(24)28(34)32-21-10-12-22(13-11-21)36-26-17-25(30-18(2)31-26)33-16-15-29-19(33)3/h5-17H,4H2,1-3H3,(H,32,34).

What are the key properties of 2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide?

2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 122312781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).