5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide

C86H64N10O4 — CID 146379887

IUPAC5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ncc(-c4ccccc4-c4cc(C(=O)N(C)c5ccc(-c6ccccn6)cc5)cc(C(=O)N(C)c5ccc(-c6ccccn6)cc5)c4)cn3)cc2)c1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C86H64N10O4/c1-93(70-37-29-58(30-38-70)78-21-9-13-45-87-78)83(97)65-49-63(50-66(53-65)84(98)94(2)71-39-31-59(32-40-71)79-22-10-14-46-88-79)75-18-6-5-17-74(75)57-25-27-62(28-26-57)82-91-55-69(56-92-82)77-20-8-7-19-76(77)64-51-67(85(99)95(3)72-41-33-60(34-42-72)80-23-11-15-47-89-80)54-68(52-64)86(100)96(4)73-43-35-61(36-44-73)81-24-12-16-48-90-81/h5-56H,1-4H3
InChIKeyMDMQJSHPWDXOSH-UHFFFAOYSA-N
MW1301.52 g/mol
LogP18.17
Rot. Bonds17

About 5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide

5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide (PubChem CID 146379887) has the molecular formula C86H64N10O4 and a molecular weight of 1301.52 g/mol. Its IUPAC name is 5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide
PubChem CID146379887
Molecular FormulaC86H64N10O4
Molecular Weight1301.52 g/mol
Exact Mass1300.51
IUPAC Name5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ncc(-c4ccccc4-c4cc(C(=O)N(C)c5ccc(-c6ccccn6)cc5)cc(C(=O)N(C)c5ccc(-c6ccccn6)cc5)c4)cn3)cc2)c1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C86H64N10O4/c1-93(70-37-29-58(30-38-70)78-21-9-13-45-87-78)83(97)65-49-63(50-66(53-65)84(98)94(2)71-39-31-59(32-40-71)79-22-10-14-46-88-79)75-18-6-5-17-74(75)57-25-27-62(28-26-57)82-91-55-69(56-92-82)77-20-8-7-19-76(77)64-51-67(85(99)95(3)72-41-33-60(34-42-72)80-23-11-15-47-89-80)54-68(52-64)86(100)96(4)73-43-35-61(36-44-73)81-24-12-16-48-90-81/h5-56H,1-4H3
InChIKeyMDMQJSHPWDXOSH-UHFFFAOYSA-N
XLogP18.17
TPSA158.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001301.52
LogP ≤ 518.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide (CID 146379887) is 5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide is CN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ncc(-c4ccccc4-c4cc(C(=O)N(C)c5ccc(-c6ccccn6)cc5)cc(C(=O)N(C)c5ccc(-c6ccccn6)cc5)c4)cn3)cc2)c1)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is MDMQJSHPWDXOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H64N10O4/c1-93(70-37-29-58(30-38-70)78-21-9-13-45-87-78)83(97)65-49-63(50-66(53-65)84(98)94(2)71-39-31-59(32-40-71)79-22-10-14-46-88-79)75-18-6-5-17-74(75)57-25-27-62(28-26-57)82-91-55-69(56-92-82)77-20-8-7-19-76(77)64-51-67(85(99)95(3)72-41-33-60(34-42-72)80-23-11-15-47-89-80)54-68(52-64)86(100)96(4)73-43-35-61(36-44-73)81-24-12-16-48-90-81/h5-56H,1-4H3.
What are the key properties of 5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide?
5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 1301.52 g/mol, XLogP of 18.17, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[5-[2-[3,5-bis[methyl-(4-pyridin-2-ylphenyl)carbamoyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 146379887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).