4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(3-methylbut-2-enoyl)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide

C61H46F5N5O7 — CID 160796248

About 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(3-methylbut-2-enoyl)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide

4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(3-methylbut-2-enoyl)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide (PubChem CID 160796248) has the molecular formula C61H46F5N5O7 and a molecular weight of 1056.06 g/mol. Its IUPAC name is 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(3-methylbut-2-enoyl)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(3-methylbut-2-enoyl)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
• PubChem CID: 160796248
• Molecular Formula: C61H46F5N5O7
• Molecular Weight: 1056.06 g/mol
• Exact Mass: 1055.33
• IUPAC Name: 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(3-methylbut-2-enoyl)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
• SMILES: CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(-c5c(F)ccnc5F)cc4)cccc23)ccn1.CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(C(F)(F)F)c(C(=O)C=C(C)C)c4)cccc23)ccn1
• InChI: InChI=1S/C31H25F3N2O4.C30H21F2N3O3/c1-18(2)14-27(37)24-15-19(10-11-25(24)31(32,33)34)16-28(38)22-7-4-8-23-21(22)6-5-9-29(23)40-20-12-13-36-26(17-20)30(39)35-3;1-33-30(37)25-17-20(12-14-34-25)38-27-7-3-4-21-22(5-2-6-23(21)27)26(36)16-18-8-10-19(11-9-18)28-24(31)13-15-35-29(28)32/h4-15,17H,16H2,1-3H3,(H,35,39);2-15,17H,16H2,1H3,(H,33,37)
• InChIKey: SCMDAECAYACXRS-UHFFFAOYSA-N
• XLogP: 13.13
• TPSA: 166.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1056.06
LogP ≤ 5	13.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(3-methylbut-2-enoyl)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?

The IUPAC name of 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(3-methylbut-2-enoyl)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide (CID 160796248) is 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(3-methylbut-2-enoyl)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide.

What is the SMILES notation for 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(3-methylbut-2-enoyl)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?

The canonical SMILES for 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(3-methylbut-2-enoyl)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(-c5c(F)ccnc5F)cc4)cccc23)ccn1.CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(C(F)(F)F)c(C(=O)C=C(C)C)c4)cccc23)ccn1.

What is the InChIKey of 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(3-methylbut-2-enoyl)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?

The InChIKey is SCMDAECAYACXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F3N2O4.C30H21F2N3O3/c1-18(2)14-27(37)24-15-19(10-11-25(24)31(32,33)34)16-28(38)22-7-4-8-23-21(22)6-5-9-29(23)40-20-12-13-36-26(17-20)30(39)35-3;1-33-30(37)25-17-20(12-14-34-25)38-27-7-3-4-21-22(5-2-6-23(21)27)26(36)16-18-8-10-19(11-9-18)28-24(31)13-15-35-29(28)32/h4-15,17H,16H2,1-3H3,(H,35,39);2-15,17H,16H2,1H3,(H,33,37).

What are the key properties of 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(3-methylbut-2-enoyl)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?

4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(3-methylbut-2-enoyl)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide has a molecular weight of 1056.06 g/mol, XLogP of 13.13, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(3-methylbut-2-enoyl)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 160796248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).