4-[5-[2-[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide

C161H130F15N15O22 — CID 162014704

About 4-[5-[2-[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide

4-[5-[2-[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide (PubChem CID 162014704) has the molecular formula C161H130F15N15O22 and a molecular weight of 2911.86 g/mol. Its IUPAC name is 4-[5-[2-[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[5-[2-[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
• PubChem CID: 162014704
• Molecular Formula: C161H130F15N15O22
• Molecular Weight: 2911.86 g/mol
• Exact Mass: 2909.93
• IUPAC Name: 4-[5-[2-[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
• SMILES: C=C(C(=O)N1CCOCC1)C(O)c1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.C=C(Cn1cccn1)C(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.C=CC(=O)CCc1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(C(=O)C5(C#N)CC5)c(C(F)(F)F)c4)cccc23)ccn1.CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c4)cccc23)ccn1
• InChI: InChI=1S/C34H30F3N3O6.C33H26F3N5O4.C32H27F3N2O4.C31H22F3N3O4.C31H25F3N2O4/c1-20(33(44)40-13-15-45-16-14-40)31(42)26-10-9-21(17-27(26)34(35,36)37)18-29(41)24-6-3-7-25-23(24)5-4-8-30(25)46-22-11-12-39-28(19-22)32(43)38-2;1-20(19-41-15-5-13-39-41)31(43)40-27-11-10-21(16-26(27)33(34,35)36)17-29(42)24-7-3-8-25-23(24)6-4-9-30(25)45-22-12-14-38-28(18-22)32(44)37-2;1-19(2)14-22(38)17-21-11-10-20(15-27(21)32(33,34)35)16-29(39)25-7-4-8-26-24(25)6-5-9-30(26)41-23-12-13-37-28(18-23)31(40)36-3;1-36-29(40)25-16-19(10-13-37-25)41-27-7-3-4-20-21(5-2-6-22(20)27)26(38)15-18-8-9-23(24(14-18)31(32,33)34)28(39)30(17-35)11-12-30;1-3-21(37)13-12-20-11-10-19(16-26(20)31(32,33)34)17-28(38)24-7-4-8-25-23(24)6-5-9-29(25)40-22-14-15-36-27(18-22)30(39)35-2/h3-12,17,19,31,42H,1,13-16,18H2,2H3,(H,38,43);3-16,18H,1,17,19H2,2H3,(H,37,44)(H,40,43);4-15,18H,16-17H2,1-3H3,(H,36,40);2-10,13-14,16H,11-12,15H2,1H3,(H,36,40);3-11,14-16,18H,1,12-13,17H2,2H3,(H,35,39)
• InChIKey: YTYHUURCQCHLEU-UHFFFAOYSA-N
• XLogP: 31.25
• TPSA: 513.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 46
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2911.86
LogP ≤ 5	31.25
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?

The IUPAC name of 4-[5-[2-[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide (CID 162014704) is 4-[5-[2-[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide.

What is the SMILES notation for 4-[5-[2-[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?

The canonical SMILES for 4-[5-[2-[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide is C=C(C(=O)N1CCOCC1)C(O)c1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.C=C(Cn1cccn1)C(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.C=CC(=O)CCc1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(C(=O)C5(C#N)CC5)c(C(F)(F)F)c4)cccc23)ccn1.CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c4)cccc23)ccn1.

What is the InChIKey of 4-[5-[2-[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?

The InChIKey is YTYHUURCQCHLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F3N3O6.C33H26F3N5O4.C32H27F3N2O4.C31H22F3N3O4.C31H25F3N2O4/c1-20(33(44)40-13-15-45-16-14-40)31(42)26-10-9-21(17-27(26)34(35,36)37)18-29(41)24-6-3-7-25-23(24)5-4-8-30(25)46-22-11-12-39-28(19-22)32(43)38-2;1-20(19-41-15-5-13-39-41)31(43)40-27-11-10-21(16-26(27)33(34,35)36)17-29(42)24-7-3-8-25-23(24)6-4-9-30(25)45-22-12-14-38-28(18-22)32(44)37-2;1-19(2)14-22(38)17-21-11-10-20(15-27(21)32(33,34)35)16-29(39)25-7-4-8-26-24(25)6-5-9-30(26)41-23-12-13-37-28(18-23)31(40)36-3;1-36-29(40)25-16-19(10-13-37-25)41-27-7-3-4-20-21(5-2-6-22(20)27)26(38)15-18-8-9-23(24(14-18)31(32,33)34)28(39)30(17-35)11-12-30;1-3-21(37)13-12-20-11-10-19(16-26(20)31(32,33)34)17-28(38)24-7-4-8-25-23(24)6-5-9-29(25)40-22-14-15-36-27(18-22)30(39)35-2/h3-12,17,19,31,42H,1,13-16,18H2,2H3,(H,38,43);3-16,18H,1,17,19H2,2H3,(H,37,44)(H,40,43);4-15,18H,16-17H2,1-3H3,(H,36,40);2-10,13-14,16H,11-12,15H2,1H3,(H,36,40);3-11,14-16,18H,1,12-13,17H2,2H3,(H,35,39).

What are the key properties of 4-[5-[2-[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?

4-[5-[2-[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide has a molecular weight of 2911.86 g/mol, XLogP of 31.25, 46 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[2-[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 162014704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).