N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[6-[2-hydroxyethyl(methyl)amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C131H139F15N22O17 — CID 158634924

About N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[6-[2-hydroxyethyl(methyl)amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[6-[2-hydroxyethyl(methyl)amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158634924) has the molecular formula C131H139F15N22O17 and a molecular weight of 2578.66 g/mol. Its IUPAC name is N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[6-[2-hydroxyethyl(methyl)amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[6-[2-hydroxyethyl(methyl)amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• PubChem CID: 158634924
• Molecular Formula: C131H139F15N22O17
• Molecular Weight: 2578.66 g/mol
• Exact Mass: 2577.04
• IUPAC Name: N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[6-[2-hydroxyethyl(methyl)amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• SMILES: COCCNc1nnc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1C1CCOCC1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(NCCO)nc(C2(O)CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2(O)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2CCOCC2)c(N(C)CCO)nn1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2CCOCC2)c(N[C@@H](C)CO)nn1
• InChI: InChI=1S/C27H28F3N3O4.3C26H28F3N5O3.C26H27F3N4O4/c1-17-5-6-21(32-25(35)18-3-2-4-20(13-18)27(28,29)30)16-22(17)19-14-23(26(36)7-11-37-12-8-26)33-24(15-19)31-9-10-34;1-16-3-4-19(31-25(36)18-5-8-30-23(13-18)26(27,28)29)14-20(16)22-15-21(17-6-11-37-12-7-17)24(33-32-22)34(2)9-10-35;1-16-3-4-19(32-25(35)18-5-8-30-23(13-18)26(27,28)29)14-20(16)22-15-21(17-6-10-37-11-7-17)24(34-33-22)31-9-12-36-2;1-15-3-4-19(32-25(36)18-5-8-30-23(11-18)26(27,28)29)12-20(15)22-13-21(17-6-9-37-10-7-17)24(34-33-22)31-16(2)14-35;1-16-2-3-19(32-24(35)21-14-18(4-7-30-21)26(27,28)29)15-20(16)17-12-22(25(36)5-10-37-11-6-25)33-23(13-17)31-8-9-34/h2-6,13-16,34,36H,7-12H2,1H3,(H,31,33)(H,32,35);3-5,8,13-15,17,35H,6-7,9-12H2,1-2H3,(H,31,36);3-5,8,13-15,17H,6-7,9-12H2,1-2H3,(H,31,34)(H,32,35);3-5,8,11-13,16-17,35H,6-7,9-10,14H2,1-2H3,(H,31,34)(H,32,36);2-4,7,12-15,34,36H,5-6,8-11H2,1H3,(H,31,33)(H,32,35)/t;;;16-;/m...0./s1
• InChIKey: HZQPLZCGXIBPDS-IQYCNGPWSA-N
• XLogP: 23.17
• TPSA: 528.30 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 34
• Rotatable Bonds: 36
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2578.66
LogP ≤ 5	23.17
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[6-[2-hydroxyethyl(methyl)amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The IUPAC name of N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[6-[2-hydroxyethyl(methyl)amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 158634924) is N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[6-[2-hydroxyethyl(methyl)amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

What is the SMILES notation for N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[6-[2-hydroxyethyl(methyl)amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The canonical SMILES for N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[6-[2-hydroxyethyl(methyl)amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is COCCNc1nnc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1C1CCOCC1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(NCCO)nc(C2(O)CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2(O)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2CCOCC2)c(N(C)CCO)nn1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2CCOCC2)c(N[C@@H](C)CO)nn1.

What is the InChIKey of N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[6-[2-hydroxyethyl(methyl)amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is HZQPLZCGXIBPDS-IQYCNGPWSA-N. The full InChI is InChI=1S/C27H28F3N3O4.3C26H28F3N5O3.C26H27F3N4O4/c1-17-5-6-21(32-25(35)18-3-2-4-20(13-18)27(28,29)30)16-22(17)19-14-23(26(36)7-11-37-12-8-26)33-24(15-19)31-9-10-34;1-16-3-4-19(31-25(36)18-5-8-30-23(13-18)26(27,28)29)14-20(16)22-15-21(17-6-11-37-12-7-17)24(33-32-22)34(2)9-10-35;1-16-3-4-19(32-25(35)18-5-8-30-23(13-18)26(27,28)29)14-20(16)22-15-21(17-6-10-37-11-7-17)24(34-33-22)31-9-12-36-2;1-15-3-4-19(32-25(36)18-5-8-30-23(11-18)26(27,28)29)12-20(15)22-13-21(17-6-9-37-10-7-17)24(34-33-22)31-16(2)14-35;1-16-2-3-19(32-24(35)21-14-18(4-7-30-21)26(27,28)29)15-20(16)17-12-22(25(36)5-10-37-11-6-25)33-23(13-17)31-8-9-34/h2-6,13-16,34,36H,7-12H2,1H3,(H,31,33)(H,32,35);3-5,8,13-15,17,35H,6-7,9-12H2,1-2H3,(H,31,36);3-5,8,13-15,17H,6-7,9-12H2,1-2H3,(H,31,34)(H,32,35);3-5,8,11-13,16-17,35H,6-7,9-10,14H2,1-2H3,(H,31,34)(H,32,36);2-4,7,12-15,34,36H,5-6,8-11H2,1H3,(H,31,33)(H,32,35)/t;;;16-;/m...0./s1.

What are the key properties of N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[6-[2-hydroxyethyl(methyl)amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[6-[2-hydroxyethyl(methyl)amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 2578.66 g/mol, XLogP of 23.17, 36 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[6-[2-hydroxyethyl(methyl)amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 158634924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).