6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

C31H24F3N5O3 — CID 59314436

About 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (PubChem CID 59314436) has the molecular formula C31H24F3N5O3 and a molecular weight of 571.56 g/mol. Its IUPAC name is 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
• PubChem CID: 59314436
• Molecular Formula: C31H24F3N5O3
• Molecular Weight: 571.56 g/mol
• Exact Mass: 571.18
• IUPAC Name: 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
• SMILES: Cc1ncc(-c2cc(NC(=O)c3cccc4cc(Oc5ccnc(NC(=O)C6CC6)c5)ccc34)cc(C(F)(F)F)c2)[nH]1
• InChI: InChI=1S/C31H24F3N5O3/c1-17-36-16-27(37-17)20-11-21(31(32,33)34)14-22(12-20)38-30(41)26-4-2-3-19-13-23(7-8-25(19)26)42-24-9-10-35-28(15-24)39-29(40)18-5-6-18/h2-4,7-16,18H,5-6H2,1H3,(H,36,37)(H,38,41)(H,35,39,40)
• InChIKey: LFBDVPDAUGENGX-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 109.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.56
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?

The IUPAC name of 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (CID 59314436) is 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.

What is the SMILES notation for 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?

The canonical SMILES for 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is Cc1ncc(-c2cc(NC(=O)c3cccc4cc(Oc5ccnc(NC(=O)C6CC6)c5)ccc34)cc(C(F)(F)F)c2)[nH]1.

What is the InChIKey of 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?

The InChIKey is LFBDVPDAUGENGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F3N5O3/c1-17-36-16-27(37-17)20-11-21(31(32,33)34)14-22(12-20)38-30(41)26-4-2-3-19-13-23(7-8-25(19)26)42-24-9-10-35-28(15-24)39-29(40)18-5-6-18/h2-4,7-16,18H,5-6H2,1H3,(H,36,37)(H,38,41)(H,35,39,40).

What are the key properties of 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?

6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 571.56 g/mol, XLogP of 7.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(2-methyl-1H-imidazol-5-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 59314436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).