3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide

C84H72F3N7O4 — CID 161025112

IUPAC3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccc(CO)cc3)c2)cc1.Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccccc3C#N)c2)cc1.Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccccc3C(F)(F)F)c2)cc1
InChIInChI=1S/C28H23F3N2O.C28H23N3O.C28H26N2O2/c1-18-7-11-21(12-8-18)22-13-23(25-5-3-4-6-26(25)28(29,30)31)15-24(14-22)27(34)33-17-20-10-9-19(2)32-16-20;1-19-7-11-22(12-8-19)24-13-25(27-6-4-3-5-23(27)16-29)15-26(14-24)28(32)31-18-21-10-9-20(2)30-17-21;1-19-3-9-23(10-4-19)25-13-26(24-11-7-21(18-31)8-12-24)15-27(14-25)28(32)30-17-22-6-5-20(2)29-16-22/h3-16H,17H2,1-2H3,(H,33,34);3-15,17H,18H2,1-2H3,(H,31,32);3-16,31H,17-18H2,1-2H3,(H,30,32)
InChIKeyTYWMPPLVDCYHDH-UHFFFAOYSA-N
MW1300.54 g/mol
LogP18.27
Rot. Bonds16

About 3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide

3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 161025112) has the molecular formula C84H72F3N7O4 and a molecular weight of 1300.54 g/mol. Its IUPAC name is 3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID161025112
Molecular FormulaC84H72F3N7O4
Molecular Weight1300.54 g/mol
Exact Mass1299.56
IUPAC Name3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccc(CO)cc3)c2)cc1.Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccccc3C#N)c2)cc1.Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccccc3C(F)(F)F)c2)cc1
InChIInChI=1S/C28H23F3N2O.C28H23N3O.C28H26N2O2/c1-18-7-11-21(12-8-18)22-13-23(25-5-3-4-6-26(25)28(29,30)31)15-24(14-22)27(34)33-17-20-10-9-19(2)32-16-20;1-19-7-11-22(12-8-19)24-13-25(27-6-4-3-5-23(27)16-29)15-26(14-24)28(32)31-18-21-10-9-20(2)30-17-21;1-19-3-9-23(10-4-19)25-13-26(24-11-7-21(18-31)8-12-24)15-27(14-25)28(32)30-17-22-6-5-20(2)29-16-22/h3-16H,17H2,1-2H3,(H,33,34);3-15,17H,18H2,1-2H3,(H,31,32);3-16,31H,17-18H2,1-2H3,(H,30,32)
InChIKeyTYWMPPLVDCYHDH-UHFFFAOYSA-N
XLogP18.27
TPSA169.99 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001300.54
LogP ≤ 518.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

3-(2-cyanophenyl)-5-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 45136905
3-(4-ethylphenyl)-5-[4-(hydroxymethyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 143959958
3-N,3-N-dimethyl-5-(4-methylphenyl)-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,3-dicarboxamide
CID 58188040
3-(2-cyano-4-methylphenyl)-5-(2-methoxyethoxy)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 58188268
3-(2-hydroxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 143959971
methyl-methylidene-[3-[3-(4-methylphenyl)-5-[(6-methyl-3-pyridinyl)methylcarbamoyl]phenyl]phenyl]azanium
CID 91550432
3-(2-cyano-4-methylphenyl)-5-[dihydroxy(pyrrolidin-1-yl)-λ4-sulfanyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 58188215
N-[(6-chloro-3-pyridinyl)methyl]-3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide
CID 42632939
3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide
CID 45136907
3-(2-cyano-4-methylphenyl)-5-(4-hydroxypyrrolidin-3-yl)oxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide;ethane
CID 143859792
[3-(4-methylphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]phenyl]methanesulfinate
CID 174733775
3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide
CID 45137636

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide (CID 161025112) is 3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide is Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccc(CO)cc3)c2)cc1.Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccccc3C#N)c2)cc1.Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccccc3C(F)(F)F)c2)cc1.
What is the InChIKey of 3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is TYWMPPLVDCYHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N2O.C28H23N3O.C28H26N2O2/c1-18-7-11-21(12-8-18)22-13-23(25-5-3-4-6-26(25)28(29,30)31)15-24(14-22)27(34)33-17-20-10-9-19(2)32-16-20;1-19-7-11-22(12-8-19)24-13-25(27-6-4-3-5-23(27)16-29)15-26(14-24)28(32)31-18-21-10-9-20(2)30-17-21;1-19-3-9-23(10-4-19)25-13-26(24-11-7-21(18-31)8-12-24)15-27(14-25)28(32)30-17-22-6-5-20(2)29-16-22/h3-16H,17H2,1-2H3,(H,33,34);3-15,17H,18H2,1-2H3,(H,31,32);3-16,31H,17-18H2,1-2H3,(H,30,32).
What are the key properties of 3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide?
3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 1300.54 g/mol, XLogP of 18.27, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanophenyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 161025112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).