1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;methane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide

C₁₁₉H₁₁₁F₃N₁₀O₁₁ — CID 158578857

About 1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;methane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide

1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;methane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide (PubChem CID 158578857) has the molecular formula C₁₁₉H₁₁₁F₃N₁₀O₁₁ and a molecular weight of 1914.25 g/mol. Its IUPAC name is 1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;methane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide.

Molecular Properties

• Compound Name: 1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;methane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide
• PubChem CID: 158578857
• Molecular Formula: C₁₁₉H₁₁₁F₃N₁₀O₁₁
• Molecular Weight: 1914.25 g/mol
• Exact Mass: 1912.84
• IUPAC Name: 1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;methane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide
• SMILES: C.CC.COc1cc(Cc2cnc(N)nc2N)cc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)c1OC.COc1ccc(C(=O)c2ccccc2-c2ccccc2)cc1.COc1ccccc1-c1cc(C(=O)c2ccc(-c3ccc(C)cc3)c(C(F)(F)F)c2)ccc1OC.Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)cc1.Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C)n3)cc2)n1
• InChI: InChI=1S/C29H23F3O3.C27H27N5O3.C20H18N4O2.C20H17NO.C20H16O2.C2H6.CH4/c1-18-8-10-19(11-9-18)22-14-12-21(17-25(22)29(30,31)32)28(33)20-13-15-27(35-3)24(16-20)23-6-4-5-7-26(23)34-2;1-16-7-9-18(10-8-16)26(33)31-21-6-4-5-19(14-21)22-12-17(13-23(34-2)24(22)35-3)11-20-15-30-27(29)32-25(20)28;1-13-5-3-7-17(21-13)23-19(25)15-9-11-16(12-10-15)20(26)24-18-8-4-6-14(2)22-18;1-15-10-12-17(13-11-15)20(22)21-19-9-5-8-18(14-19)16-6-3-2-4-7-16;1-22-17-13-11-16(12-14-17)20(21)19-10-6-5-9-18(19)15-7-3-2-4-8-15;1-2;/h4-17H,1-3H3;4-10,12-15H,11H2,1-3H3,(H,31,33)(H4,28,29,30,32);3-12H,1-2H3,(H,21,23,25)(H,22,24,26);2-14H,1H3,(H,21,22);2-14H,1H3;1-2H3;1H4
• InChIKey: HSZPXIQZCHQJDX-UHFFFAOYSA-N
• XLogP: 26.84
• TPSA: 300.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1914.25
LogP ≤ 5	26.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;methane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide?

The IUPAC name of 1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;methane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide (CID 158578857) is 1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;methane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide.

What is the SMILES notation for 1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;methane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide?

The canonical SMILES for 1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;methane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide is C.CC.COc1cc(Cc2cnc(N)nc2N)cc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)c1OC.COc1ccc(C(=O)c2ccccc2-c2ccccc2)cc1.COc1ccccc1-c1cc(C(=O)c2ccc(-c3ccc(C)cc3)c(C(F)(F)F)c2)ccc1OC.Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)cc1.Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C)n3)cc2)n1.

What is the InChIKey of 1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;methane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide?

The InChIKey is HSZPXIQZCHQJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3O3.C27H27N5O3.C20H18N4O2.C20H17NO.C20H16O2.C2H6.CH4/c1-18-8-10-19(11-9-18)22-14-12-21(17-25(22)29(30,31)32)28(33)20-13-15-27(35-3)24(16-20)23-6-4-5-7-26(23)34-2;1-16-7-9-18(10-8-16)26(33)31-21-6-4-5-19(14-21)22-12-17(13-23(34-2)24(22)35-3)11-20-15-30-27(29)32-25(20)28;1-13-5-3-7-17(21-13)23-19(25)15-9-11-16(12-10-15)20(26)24-18-8-4-6-14(2)22-18;1-15-10-12-17(13-11-15)20(22)21-19-9-5-8-18(14-19)16-6-3-2-4-7-16;1-22-17-13-11-16(12-14-17)20(21)19-10-6-5-9-18(19)15-7-3-2-4-8-15;1-2;/h4-17H,1-3H3;4-10,12-15H,11H2,1-3H3,(H,31,33)(H4,28,29,30,32);3-12H,1-2H3,(H,21,23,25)(H,22,24,26);2-14H,1H3,(H,21,22);2-14H,1H3;1-2H3;1H4.

What are the key properties of 1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;methane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide?

1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;methane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide has a molecular weight of 1914.25 g/mol, XLogP of 26.84, 24 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,4-N-bis(6-methyl-2-pyridinyl)benzene-1,4-dicarboxamide;N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-4-methylbenzamide;ethane;methane;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide is sourced from PubChem (CID 158578857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158578857 — identifiers, structure, computed properties (public domain)

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