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-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid

C90H86N10O10 — CID 158684579

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;methane;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid
SMILESC.CC.COc1cc(Cc2cnc(N)nc2N)cc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)c1OC.COc1ccc(C(=O)c2ccccc2-c2ccccc2)cc1.Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C)n3)cc2)n1.O=C(O)c1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C27H27N5O3.C20H18N4O2.C20H15NO3.C20H16O2.C2H6.CH4/c1-16-7-9-18(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;22-19(15-9-11-16(12-10-15)20(23)24)21-18-8-4-7-17(13-18)14-5-2-1-3-6-14;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;/h4-10,12-15H,11H2,1-3H3,(H,31,33)(H4,28,29,30,32);3-12H,1-2H3,(H,21,23,25)(H,22,24,26);1-13H,(H,21,22)(H,23,24);2-14H,1H3;1-2H3;1H4
InChIKeyIFOKACVYIZRBCY-UHFFFAOYSA-N
MW1467.74 g/mol
LogP18.63
Rot. Bonds19

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-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid

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-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid (PubChem CID 158684579) has the molecular formula C90H86N10O10 and a molecular weight of 1467.74 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-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid.

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;methane;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid
PubChem CID158684579
Molecular FormulaC90H86N10O10
Molecular Weight1467.74 g/mol
Exact Mass1466.65
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;methane;(4-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid
SMILESC.CC.COc1cc(Cc2cnc(N)nc2N)cc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)c1OC.COc1ccc(C(=O)c2ccccc2-c2ccccc2)cc1.Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C)n3)cc2)n1.O=C(O)c1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C27H27N5O3.C20H18N4O2.C20H15NO3.C20H16O2.C2H6.CH4/c1-16-7-9-18(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;22-19(15-9-11-16(12-10-15)20(23)24)21-18-8-4-7-17(13-18)14-5-2-1-3-6-14;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;/h4-10,12-15H,11H2,1-3H3,(H,31,33)(H4,28,29,30,32);3-12H,1-2H3,(H,21,23,25)(H,22,24,26);1-13H,(H,21,22)(H,23,24);2-14H,1H3;1-2H3;1H4
InChIKeyIFOKACVYIZRBCY-UHFFFAOYSA-N
XLogP18.63
TPSA302.06 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001467.74
LogP ≤ 518.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 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-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid with MolForge

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Related Compounds

methyl 4-[[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]carbamoyl]benzoate
CID 19081644
N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-2-hydroxybenzamide
CID 19081551
benzoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 71329105
3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenoxy]-2,2-dimethylpropanoic acid
CID 44531822
3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid
CID 164625810
4-[[3-[6-(hydroxymethyl)-7-methoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoic acid;hydrochloride
CID 162161299
N-(6-methyl-2-pyridinyl)-4-phenylmethoxybenzamide
CID 35036020
ethyl 6-[2-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]ethynyl]naphthalene-2-carboxylate
CID 19081577
2-amino-3,5-dimethoxy-N-(6-methyl-2-pyridinyl)benzamide
CID 115950448
2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-iodo-6-methoxyphenoxy]acetic acid
CID 23299745
2-(benzenesulfinyl)-1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]ethanone
CID 54374559
2-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]-3-(furan-2-yl)prop-2-enoic acid
CID 67667349

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-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid?
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-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid (CID 158684579) 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-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid.
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-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid?
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-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid is C.CC.COc1cc(Cc2cnc(N)nc2N)cc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)c1OC.COc1ccc(C(=O)c2ccccc2-c2ccccc2)cc1.Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C)n3)cc2)n1.O=C(O)c1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)cc1.
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-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid?
The InChIKey is IFOKACVYIZRBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3.C20H18N4O2.C20H15NO3.C20H16O2.C2H6.CH4/c1-16-7-9-18(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;22-19(15-9-11-16(12-10-15)20(23)24)21-18-8-4-7-17(13-18)14-5-2-1-3-6-14;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;/h4-10,12-15H,11H2,1-3H3,(H,31,33)(H4,28,29,30,32);3-12H,1-2H3,(H,21,23,25)(H,22,24,26);1-13H,(H,21,22)(H,23,24);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-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid?
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-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid has a molecular weight of 1467.74 g/mol, XLogP of 18.63, 19 rotatable bonds, 7 hydrogen bond donors, and 15 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-methoxyphenyl)-(2-phenylphenyl)methanone;4-[(3-phenylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 158684579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).