ethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

C163H172N30O6 — CID 157219735

IUPACethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESCC.CC.CC.CC.CC.CC.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccccc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2ccccc2)n1.O=C(Nc1cccc(Nc2nccc(-c3ccccc3)n2)c1)c1ccccc1.O=C(Nc1cccc(Nc2nccc(-c3ccccc3)n2)c1)c1ccccc1.O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccccc1
InChIInChI=1S/C30H32N6O.C29H31N7O.C24H20N4O.2C23H18N4O.C22H17N5O.6C2H6/c1-22-8-13-26(20-28(22)34-30-31-15-14-27(33-30)24-6-4-3-5-7-24)32-29(37)25-11-9-23(10-12-25)21-36-18-16-35(2)17-19-36;1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-17-12-13-20(26-23(29)19-10-6-3-7-11-19)16-22(17)28-24-25-15-14-21(27-24)18-8-4-2-5-9-18;2*28-22(18-10-5-2-6-11-18)25-19-12-7-13-20(16-19)26-23-24-15-14-21(27-23)17-8-3-1-4-9-17;28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17;6*1-2/h3-15,20H,16-19,21H2,1-2H3,(H,32,37)(H,31,33,34);3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);2-16H,1H3,(H,26,29)(H,25,27,28);2*1-16H,(H,25,28)(H,24,26,27);1-15H,(H,25,28)(H,24,26,27);6*1-2H3
InChIKeyASVLIEGKXLYZIS-UHFFFAOYSA-N
MW2647.37 g/mol
LogP36.20
Rot. Bonds34

About ethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

ethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (PubChem CID 157219735) has the molecular formula C163H172N30O6 and a molecular weight of 2647.37 g/mol. Its IUPAC name is ethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Nameethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
PubChem CID157219735
Molecular FormulaC163H172N30O6
Molecular Weight2647.37 g/mol
Exact Mass2645.41
IUPAC Nameethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESCC.CC.CC.CC.CC.CC.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccccc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2ccccc2)n1.O=C(Nc1cccc(Nc2nccc(-c3ccccc3)n2)c1)c1ccccc1.O=C(Nc1cccc(Nc2nccc(-c3ccccc3)n2)c1)c1ccccc1.O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccccc1
InChIInChI=1S/C30H32N6O.C29H31N7O.C24H20N4O.2C23H18N4O.C22H17N5O.6C2H6/c1-22-8-13-26(20-28(22)34-30-31-15-14-27(33-30)24-6-4-3-5-7-24)32-29(37)25-11-9-23(10-12-25)21-36-18-16-35(2)17-19-36;1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-17-12-13-20(26-23(29)19-10-6-3-7-11-19)16-22(17)28-24-25-15-14-21(27-24)18-8-4-2-5-9-18;2*28-22(18-10-5-2-6-11-18)25-19-12-7-13-20(16-19)26-23-24-15-14-21(27-23)17-8-3-1-4-9-17;28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17;6*1-2/h3-15,20H,16-19,21H2,1-2H3,(H,32,37)(H,31,33,34);3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);2-16H,1H3,(H,26,29)(H,25,27,28);2*1-16H,(H,25,28)(H,24,26,27);1-15H,(H,25,28)(H,24,26,27);6*1-2H3
InChIKeyASVLIEGKXLYZIS-UHFFFAOYSA-N
XLogP36.20
TPSA440.20 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds34
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002647.37
LogP ≤ 536.20
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze ethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The IUPAC name of ethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (CID 157219735) is ethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for ethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The canonical SMILES for ethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide is CC.CC.CC.CC.CC.CC.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccccc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2ccccc2)n1.O=C(Nc1cccc(Nc2nccc(-c3ccccc3)n2)c1)c1ccccc1.O=C(Nc1cccc(Nc2nccc(-c3ccccc3)n2)c1)c1ccccc1.O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccccc1.
What is the InChIKey of ethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The InChIKey is ASVLIEGKXLYZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O.C29H31N7O.C24H20N4O.2C23H18N4O.C22H17N5O.6C2H6/c1-22-8-13-26(20-28(22)34-30-31-15-14-27(33-30)24-6-4-3-5-7-24)32-29(37)25-11-9-23(10-12-25)21-36-18-16-35(2)17-19-36;1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-17-12-13-20(26-23(29)19-10-6-3-7-11-19)16-22(17)28-24-25-15-14-21(27-24)18-8-4-2-5-9-18;2*28-22(18-10-5-2-6-11-18)25-19-12-7-13-20(16-19)26-23-24-15-14-21(27-23)17-8-3-1-4-9-17;28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17;6*1-2/h3-15,20H,16-19,21H2,1-2H3,(H,32,37)(H,31,33,34);3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);2-16H,1H3,(H,26,29)(H,25,27,28);2*1-16H,(H,25,28)(H,24,26,27);1-15H,(H,25,28)(H,24,26,27);6*1-2H3.
What are the key properties of ethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
ethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide has a molecular weight of 2647.37 g/mol, XLogP of 36.20, 34 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide);N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 157219735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).