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;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide

C118H107F3N10O11 — CID 157344377

IUPAC1-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;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide
SMILESCC.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
InChIInChI=1S/C29H23F3O3.C27H27N5O3.C20H18N4O2.C20H17NO.C20H16O2.C2H6/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
InChIKeyBGTYUNQUGIDNKI-UHFFFAOYSA-N
MW1898.21 g/mol
LogP26.20
Rot. Bonds24

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;[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;[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 157344377) has the molecular formula C118H107F3N10O11 and a molecular weight of 1898.21 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;[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 Name1-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;[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 CID157344377
Molecular FormulaC118H107F3N10O11
Molecular Weight1898.21 g/mol
Exact Mass1896.81
IUPAC Name1-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;[4-methoxy-3-(2-methoxyphenyl)phenyl]-[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methanone;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-methyl-N-(3-phenylphenyl)benzamide
SMILESCC.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
InChIInChI=1S/C29H23F3O3.C27H27N5O3.C20H18N4O2.C20H17NO.C20H16O2.C2H6/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
InChIKeyBGTYUNQUGIDNKI-UHFFFAOYSA-N
XLogP26.20
TPSA300.29 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001898.21
LogP ≤ 526.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

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Related Compounds

N-[3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]oxy-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 134139846
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-methyl-3-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 164610272
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-4-methylbenzamide
CID 164616786
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide
CID 164617333
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methylbenzamide
CID 164621165
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-methyl-3-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 164624120
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-4-methylbenzamide
CID 164624462
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 164624709
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 164625717
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-methyl-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide
CID 164625981
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-methyl-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide
CID 164616214
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-[4-(3-fluoro-4-methoxyanilino)quinazolin-6-yl]benzamide
CID 177642124

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;[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;[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 157344377) 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;[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;[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;[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 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;[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 BGTYUNQUGIDNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3O3.C27H27N5O3.C20H18N4O2.C20H17NO.C20H16O2.C2H6/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.
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;[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;[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 1898.21 g/mol, XLogP of 26.20, 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;[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 157344377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).