2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C89H88N12O8 — CID 157368879

IUPAC2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESC=Cc1ccc(COc2ccc(C(=O)NCc3cccnc3)cn2)cc1.C=Cc1ccc(COc2ncccc2C(=O)NCc2cccnc2)cc1.CCC(c1ccc(COc2ccc(C(=O)NCc3cccnc3)cn2)cc1)C(C)(C)CC(C)c1ccc(COc2ncccc2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C47H50N6O4.2C21H19N3O2/c1-5-42(39-18-14-34(15-19-39)31-56-43-21-20-40(30-51-43)44(54)52-28-36-9-6-22-48-26-36)47(3,4)25-33(2)38-16-12-35(13-17-38)32-57-46-41(11-8-24-50-46)45(55)53-29-37-10-7-23-49-27-37;1-2-16-7-9-17(10-8-16)15-26-21-19(6-4-12-23-21)20(25)24-14-18-5-3-11-22-13-18;1-2-16-5-7-17(8-6-16)15-26-20-10-9-19(14-23-20)21(25)24-13-18-4-3-11-22-12-18/h6-24,26-27,30,33,42H,5,25,28-29,31-32H2,1-4H3,(H,52,54)(H,53,55);2-13H,1,14-15H2,(H,24,25);2-12,14H,1,13,15H2,(H,24,25)
InChIKeyBJNAEGCPTHEWDB-UHFFFAOYSA-N
MW1453.76 g/mol
LogP16.26
Rot. Bonds32

About 2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 157368879) has the molecular formula C89H88N12O8 and a molecular weight of 1453.76 g/mol. Its IUPAC name is 2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID157368879
Molecular FormulaC89H88N12O8
Molecular Weight1453.76 g/mol
Exact Mass1452.68
IUPAC Name2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESC=Cc1ccc(COc2ccc(C(=O)NCc3cccnc3)cn2)cc1.C=Cc1ccc(COc2ncccc2C(=O)NCc2cccnc2)cc1.CCC(c1ccc(COc2ccc(C(=O)NCc3cccnc3)cn2)cc1)C(C)(C)CC(C)c1ccc(COc2ncccc2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C47H50N6O4.2C21H19N3O2/c1-5-42(39-18-14-34(15-19-39)31-56-43-21-20-40(30-51-43)44(54)52-28-36-9-6-22-48-26-36)47(3,4)25-33(2)38-16-12-35(13-17-38)32-57-46-41(11-8-24-50-46)45(55)53-29-37-10-7-23-49-27-37;1-2-16-7-9-17(10-8-16)15-26-21-19(6-4-12-23-21)20(25)24-14-18-5-3-11-22-13-18;1-2-16-5-7-17(8-6-16)15-26-20-10-9-19(14-23-20)21(25)24-13-18-4-3-11-22-12-18/h6-24,26-27,30,33,42H,5,25,28-29,31-32H2,1-4H3,(H,52,54)(H,53,55);2-13H,1,14-15H2,(H,24,25);2-12,14H,1,13,15H2,(H,24,25)
InChIKeyBJNAEGCPTHEWDB-UHFFFAOYSA-N
XLogP16.26
TPSA256.44 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001453.76
LogP ≤ 516.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 110780451
methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate
CID 59042084
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157222
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2193327
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199623
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 157368879) is 2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is C=Cc1ccc(COc2ccc(C(=O)NCc3cccnc3)cn2)cc1.C=Cc1ccc(COc2ncccc2C(=O)NCc2cccnc2)cc1.CCC(c1ccc(COc2ccc(C(=O)NCc3cccnc3)cn2)cc1)C(C)(C)CC(C)c1ccc(COc2ncccc2C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is BJNAEGCPTHEWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H50N6O4.2C21H19N3O2/c1-5-42(39-18-14-34(15-19-39)31-56-43-21-20-40(30-51-43)44(54)52-28-36-9-6-22-48-26-36)47(3,4)25-33(2)38-16-12-35(13-17-38)32-57-46-41(11-8-24-50-46)45(55)53-29-37-10-7-23-49-27-37;1-2-16-7-9-17(10-8-16)15-26-21-19(6-4-12-23-21)20(25)24-14-18-5-3-11-22-13-18;1-2-16-5-7-17(8-6-16)15-26-20-10-9-19(14-23-20)21(25)24-13-18-4-3-11-22-12-18/h6-24,26-27,30,33,42H,5,25,28-29,31-32H2,1-4H3,(H,52,54)(H,53,55);2-13H,1,14-15H2,(H,24,25);2-12,14H,1,13,15H2,(H,24,25).
What are the key properties of 2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 1453.76 g/mol, XLogP of 16.26, 32 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4,4-dimethyl-5-[4-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]oxymethyl]phenyl]heptan-2-yl]phenyl]methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;2-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;6-[(4-ethenylphenyl)methoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 157368879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).