7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide

C32H34N6O2 — CID 69441789

About 7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide

7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide (PubChem CID 69441789) has the molecular formula C32H34N6O2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide
• PubChem CID: 69441789
• Molecular Formula: C32H34N6O2
• Molecular Weight: 534.66 g/mol
• Exact Mass: 534.27
• IUPAC Name: 7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide
• SMILES: CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(-c5ncc(CNCCN)[nH]5)c4)cc3c2)c1
• InChI: InChI=1S/C32H34N6O2/c1-32(2,3)24-5-4-6-25(17-24)38-31(39)22-8-7-21-9-10-27(16-23(21)15-22)40-28-11-13-35-29(18-28)30-36-20-26(37-30)19-34-14-12-33/h4-11,13,15-18,20,34H,12,14,19,33H2,1-3H3,(H,36,37)(H,38,39)
• InChIKey: RSJOHLZWFUNHNU-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 117.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.66
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide?

The IUPAC name of 7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide (CID 69441789) is 7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide.

What is the SMILES notation for 7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide?

The canonical SMILES for 7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide is CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(-c5ncc(CNCCN)[nH]5)c4)cc3c2)c1.

What is the InChIKey of 7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide?

The InChIKey is RSJOHLZWFUNHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O2/c1-32(2,3)24-5-4-6-25(17-24)38-31(39)22-8-7-21-9-10-27(16-23(21)15-22)40-28-11-13-35-29(18-28)30-36-20-26(37-30)19-34-14-12-33/h4-11,13,15-18,20,34H,12,14,19,33H2,1-3H3,(H,36,37)(H,38,39).

What are the key properties of 7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide?

7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide has a molecular weight of 534.66 g/mol, XLogP of 6.02, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 69441789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).