N-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide

C80H89F3N10O7 — CID 157272982

IUPACN-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4cccc(C)c4)nc3)c(F)c2)CC1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3F)cn2)c1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cn1)NCc1ccccc1
InChIInChI=1S/C29H35FN4O2.C26H28FN3O3.C25H26FN3O2/c1-3-33-11-13-34(14-12-33)15-16-36-26-9-10-27(28(30)19-26)24-7-8-25(31-21-24)18-29(35)32-20-23-6-4-5-22(2)17-23;27-25-17-23(33-15-12-30-10-13-32-14-11-30)8-9-24(25)21-6-7-22(28-19-21)16-26(31)29-18-20-4-2-1-3-5-20;1-18-3-2-4-19(13-18)16-28-25(30)14-21-6-5-20(17-27-21)23-8-7-22(15-24(23)26)29-9-11-31-12-10-29/h4-10,17,19,21H,3,11-16,18,20H2,1-2H3,(H,32,35);1-9,17,19H,10-16,18H2,(H,29,31);2-8,13,15,17H,9-12,14,16H2,1H3,(H,28,30)
InChIKeyAYTGTXVGPFQGJK-UHFFFAOYSA-N
MW1359.65 g/mol
LogP11.42
Rot. Bonds25

About N-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide

N-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 157272982) has the molecular formula C80H89F3N10O7 and a molecular weight of 1359.65 g/mol. Its IUPAC name is N-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID157272982
Molecular FormulaC80H89F3N10O7
Molecular Weight1359.65 g/mol
Exact Mass1358.69
IUPAC NameN-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4cccc(C)c4)nc3)c(F)c2)CC1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3F)cn2)c1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cn1)NCc1ccccc1
InChIInChI=1S/C29H35FN4O2.C26H28FN3O3.C25H26FN3O2/c1-3-33-11-13-34(14-12-33)15-16-36-26-9-10-27(28(30)19-26)24-7-8-25(31-21-24)18-29(35)32-20-23-6-4-5-22(2)17-23;27-25-17-23(33-15-12-30-10-13-32-14-11-30)8-9-24(25)21-6-7-22(28-19-21)16-26(31)29-18-20-4-2-1-3-5-20;1-18-3-2-4-19(13-18)16-28-25(30)14-21-6-5-20(17-27-21)23-8-7-22(15-24(23)26)29-9-11-31-12-10-29/h4-10,17,19,21H,3,11-16,18,20H2,1-2H3,(H,32,35);1-9,17,19H,10-16,18H2,(H,29,31);2-8,13,15,17H,9-12,14,16H2,1H3,(H,28,30)
InChIKeyAYTGTXVGPFQGJK-UHFFFAOYSA-N
XLogP11.42
TPSA175.85 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001359.65
LogP ≤ 511.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze N-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of N-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide (CID 157272982) is N-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide is CCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4cccc(C)c4)nc3)c(F)c2)CC1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3F)cn2)c1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cn1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is AYTGTXVGPFQGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN4O2.C26H28FN3O3.C25H26FN3O2/c1-3-33-11-13-34(14-12-33)15-16-36-26-9-10-27(28(30)19-26)24-7-8-25(31-21-24)18-29(35)32-20-23-6-4-5-22(2)17-23;27-25-17-23(33-15-12-30-10-13-32-14-11-30)8-9-24(25)21-6-7-22(28-19-21)16-26(31)29-18-20-4-2-1-3-5-20;1-18-3-2-4-19(13-18)16-28-25(30)14-21-6-5-20(17-27-21)23-8-7-22(15-24(23)26)29-9-11-31-12-10-29/h4-10,17,19,21H,3,11-16,18,20H2,1-2H3,(H,32,35);1-9,17,19H,10-16,18H2,(H,29,31);2-8,13,15,17H,9-12,14,16H2,1H3,(H,28,30).
What are the key properties of N-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide?
N-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 1359.65 g/mol, XLogP of 11.42, 25 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-fluorophenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 157272982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).