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

C127H136F3N13O11 — CID 158579345

IUPAC2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one
SMILESCc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)cn2)c1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1.O=C(CCc1ccccc1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1.O=C(Cc1ccc(-c2ccccc2)cn1)NCc1cccc(F)c1
InChIInChI=1S/C28H33FN4O2.C27H29FN2O3.C27H30N2O3.C25H27N3O2.C20H17FN2O/c1-21-4-3-5-22(16-21)19-31-28(34)17-24-7-6-23(20-30-24)26-9-8-25(18-27(26)29)35-15-14-33-12-10-32(2)11-13-33;28-24-3-1-2-21(18-24)4-9-26(31)19-25-8-5-23(20-29-25)22-6-10-27(11-7-22)33-17-14-30-12-15-32-16-13-30;30-26(11-6-22-4-2-1-3-5-22)20-25-10-7-24(21-28-25)23-8-12-27(13-9-23)32-19-16-29-14-17-31-18-15-29;1-19-3-2-4-20(15-19)17-27-25(29)16-23-8-5-22(18-26-23)21-6-9-24(10-7-21)28-11-13-30-14-12-28;21-18-8-4-5-15(11-18)13-23-20(24)12-19-10-9-17(14-22-19)16-6-2-1-3-7-16/h3-9,16,18,20H,10-15,17,19H2,1-2H3,(H,31,34);1-3,5-8,10-11,18,20H,4,9,12-17,19H2;1-5,7-10,12-13,21H,6,11,14-20H2;2-10,15,18H,11-14,16-17H2,1H3,(H,27,29);1-11,14H,12-13H2,(H,23,24)
InChIKeyHTBCANGJJVVZQH-UHFFFAOYSA-N
MW2077.56 g/mol
LogP19.73
Rot. Bonds40

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

2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one (PubChem CID 158579345) has the molecular formula C127H136F3N13O11 and a molecular weight of 2077.56 g/mol. Its IUPAC name is 2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one.

Molecular Properties

Compound Name2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one
PubChem CID158579345
Molecular FormulaC127H136F3N13O11
Molecular Weight2077.56 g/mol
Exact Mass2076.04
IUPAC Name2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one
SMILESCc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)cn2)c1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1.O=C(CCc1ccccc1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1.O=C(Cc1ccc(-c2ccccc2)cn1)NCc1cccc(F)c1
InChIInChI=1S/C28H33FN4O2.C27H29FN2O3.C27H30N2O3.C25H27N3O2.C20H17FN2O/c1-21-4-3-5-22(16-21)19-31-28(34)17-24-7-6-23(20-30-24)26-9-8-25(18-27(26)29)35-15-14-33-12-10-32(2)11-13-33;28-24-3-1-2-21(18-24)4-9-26(31)19-25-8-5-23(20-29-25)22-6-10-27(11-7-22)33-17-14-30-12-15-32-16-13-30;30-26(11-6-22-4-2-1-3-5-22)20-25-10-7-24(21-28-25)23-8-12-27(13-9-23)32-19-16-29-14-17-31-18-15-29;1-19-3-2-4-20(15-19)17-27-25(29)16-23-8-5-22(18-26-23)21-6-9-24(10-7-21)28-11-13-30-14-12-28;21-18-8-4-5-15(11-18)13-23-20(24)12-19-10-9-17(14-22-19)16-6-2-1-3-7-16/h3-9,16,18,20H,10-15,17,19H2,1-2H3,(H,31,34);1-3,5-8,10-11,18,20H,4,9,12-17,19H2;1-5,7-10,12-13,21H,6,11,14-20H2;2-10,15,18H,11-14,16-17H2,1H3,(H,27,29);1-11,14H,12-13H2,(H,23,24)
InChIKeyHTBCANGJJVVZQH-UHFFFAOYSA-N
XLogP19.73
TPSA257.47 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds40
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002077.56
LogP ≤ 519.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

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

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Related Compounds

2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide
CID 155925939
N-benzyl-2-[5-[4-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635072
N-benzyl-2-[5-[4-[2-[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635524
N-[(3-fluorophenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 11496101
N-benzyl-2-[5-[4-[2-[4-[(1R,2S)-2-fluorocyclopropanecarbonyl]piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166627872
N-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166628279
N-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166628437
N-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166629240
N-benzyl-2-[5-[4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166629607
Tert-butyl 4-[2-[4-[6-[2-(benzylamino)-2-oxoethyl]-3-pyridinyl]phenoxy]ethyl]piperazine-1-carboxylate
CID 166633220
N-benzyl-2-[5-[4-[2-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635812
2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide
CID 166636078

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one?
The IUPAC name of 2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one (CID 158579345) is 2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one.
What is the SMILES notation for 2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one?
The canonical SMILES for 2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one is Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)cn2)c1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1.O=C(CCc1ccccc1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1.O=C(Cc1ccc(-c2ccccc2)cn1)NCc1cccc(F)c1.
What is the InChIKey of 2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one?
The InChIKey is HTBCANGJJVVZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O2.C27H29FN2O3.C27H30N2O3.C25H27N3O2.C20H17FN2O/c1-21-4-3-5-22(16-21)19-31-28(34)17-24-7-6-23(20-30-24)26-9-8-25(18-27(26)29)35-15-14-33-12-10-32(2)11-13-33;28-24-3-1-2-21(18-24)4-9-26(31)19-25-8-5-23(20-29-25)22-6-10-27(11-7-22)33-17-14-30-12-15-32-16-13-30;30-26(11-6-22-4-2-1-3-5-22)20-25-10-7-24(21-28-25)23-8-12-27(13-9-23)32-19-16-29-14-17-31-18-15-29;1-19-3-2-4-20(15-19)17-27-25(29)16-23-8-5-22(18-26-23)21-6-9-24(10-7-21)28-11-13-30-14-12-28;21-18-8-4-5-15(11-18)13-23-20(24)12-19-10-9-17(14-22-19)16-6-2-1-3-7-16/h3-9,16,18,20H,10-15,17,19H2,1-2H3,(H,31,34);1-3,5-8,10-11,18,20H,4,9,12-17,19H2;1-5,7-10,12-13,21H,6,11,14-20H2;2-10,15,18H,11-14,16-17H2,1H3,(H,27,29);1-11,14H,12-13H2,(H,23,24).
What are the key properties of 2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one?
2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one has a molecular weight of 2077.56 g/mol, XLogP of 19.73, 40 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one is sourced from PubChem (CID 158579345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).