N-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide

C187H212F3N23O19 — CID 159288968

IUPACN-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide
SMILESCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)cc3)c(F)n2)CC1.CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)cn3)c(F)c2)CC1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)nc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3F)nc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)nc3)cc2)c1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)nc1)NCc1ccccc1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)nc2)cc1)NCc1ccccc1
InChIInChI=1S/2C27H31FN4O2.C27H30FN3O3.2C27H31N3O3.2C26H29N3O3/c1-31-11-13-32(14-12-31)15-16-34-23-8-9-24(25(28)18-23)26-10-7-22(20-29-26)17-27(33)30-19-21-5-3-2-4-6-21;1-31-13-15-32(16-14-31)17-18-34-26-12-11-24(27(28)30-26)23-9-7-21(8-10-23)19-25(33)29-20-22-5-3-2-4-6-22;1-20-3-2-4-21(15-20)19-30-27(32)16-22-5-8-26(29-18-22)24-7-6-23(17-25(24)28)34-14-11-31-9-12-33-13-10-31;1-21-3-2-4-22(17-21)20-29-27(31)18-23-5-10-26(28-19-23)24-6-8-25(9-7-24)33-16-13-30-11-14-32-15-12-30;1-21-3-2-4-23(17-21)19-28-26(31)18-22-5-7-24(8-6-22)25-9-10-27(29-20-25)33-16-13-30-11-14-32-15-12-30;30-26(28-19-21-4-2-1-3-5-21)18-22-6-11-25(27-20-22)23-7-9-24(10-8-23)32-17-14-29-12-15-31-16-13-29;30-25(27-19-22-4-2-1-3-5-22)18-21-6-8-23(9-7-21)24-10-11-26(28-20-24)32-17-14-29-12-15-31-16-13-29/h2-10,18,20H,11-17,19H2,1H3,(H,30,33);2-12H,13-20H2,1H3,(H,29,33);2-8,15,17-18H,9-14,16,19H2,1H3,(H,30,32);2-10,17,19H,11-16,18,20H2,1H3,(H,29,31);2-10,17,20H,11-16,18-19H2,1H3,(H,28,31);1-11,20H,12-19H2,(H,28,30);1-11,20H,12-19H2,(H,27,30)
InChIKeyKZWGDOBPRQMCQM-UHFFFAOYSA-N
MW3142.89 g/mol
LogP24.40
Rot. Bonds63

About N-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide

N-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide (PubChem CID 159288968) has the molecular formula C187H212F3N23O19 and a molecular weight of 3142.89 g/mol. Its IUPAC name is N-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide
PubChem CID159288968
Molecular FormulaC187H212F3N23O19
Molecular Weight3142.89 g/mol
Exact Mass3140.63
IUPAC NameN-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide
SMILESCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)cc3)c(F)n2)CC1.CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)cn3)c(F)c2)CC1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)nc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3F)nc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)nc3)cc2)c1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)nc1)NCc1ccccc1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)nc2)cc1)NCc1ccccc1
InChIInChI=1S/2C27H31FN4O2.C27H30FN3O3.2C27H31N3O3.2C26H29N3O3/c1-31-11-13-32(14-12-31)15-16-34-23-8-9-24(25(28)18-23)26-10-7-22(20-29-26)17-27(33)30-19-21-5-3-2-4-6-21;1-31-13-15-32(16-14-31)17-18-34-26-12-11-24(27(28)30-26)23-9-7-21(8-10-23)19-25(33)29-20-22-5-3-2-4-6-22;1-20-3-2-4-21(15-20)19-30-27(32)16-22-5-8-26(29-18-22)24-7-6-23(17-25(24)28)34-14-11-31-9-12-33-13-10-31;1-21-3-2-4-22(17-21)20-29-27(31)18-23-5-10-26(28-19-23)24-6-8-25(9-7-24)33-16-13-30-11-14-32-15-12-30;1-21-3-2-4-23(17-21)19-28-26(31)18-22-5-7-24(8-6-22)25-9-10-27(29-20-25)33-16-13-30-11-14-32-15-12-30;30-26(28-19-21-4-2-1-3-5-21)18-22-6-11-25(27-20-22)23-7-9-24(10-8-23)32-17-14-29-12-15-31-16-13-29;30-25(27-19-22-4-2-1-3-5-22)18-21-6-8-23(9-7-21)24-10-11-26(28-20-24)32-17-14-29-12-15-31-16-13-29/h2-10,18,20H,11-17,19H2,1H3,(H,30,33);2-12H,13-20H2,1H3,(H,29,33);2-8,15,17-18H,9-14,16,19H2,1H3,(H,30,32);2-10,17,19H,11-16,18,20H2,1H3,(H,29,31);2-10,17,20H,11-16,18-19H2,1H3,(H,28,31);1-11,20H,12-19H2,(H,28,30);1-11,20H,12-19H2,(H,27,30)
InChIKeyKZWGDOBPRQMCQM-UHFFFAOYSA-N
XLogP24.40
TPSA433.85 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds63
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003142.89
LogP ≤ 524.40
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3-fluorophenyl)methyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
CID 11655579
2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
CID 11670196
3-fluoro-N-[5-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937697
N-benzyl-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
CID 24944758
N-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide
CID 25102146
N-[[5-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide
CID 25175462
N-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide
CID 25175625
2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
CID 58190146
2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58190184
2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-(pyridin-2-ylmethyl)acetamide
CID 58190185
2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58190232
2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58190239

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide (CID 159288968) is N-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide is CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)cc3)c(F)n2)CC1.CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)cn3)c(F)c2)CC1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)nc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3F)nc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)nc3)cc2)c1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)nc1)NCc1ccccc1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)nc2)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide?
The InChIKey is KZWGDOBPRQMCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H31FN4O2.C27H30FN3O3.2C27H31N3O3.2C26H29N3O3/c1-31-11-13-32(14-12-31)15-16-34-23-8-9-24(25(28)18-23)26-10-7-22(20-29-26)17-27(33)30-19-21-5-3-2-4-6-21;1-31-13-15-32(16-14-31)17-18-34-26-12-11-24(27(28)30-26)23-9-7-21(8-10-23)19-25(33)29-20-22-5-3-2-4-6-22;1-20-3-2-4-21(15-20)19-30-27(32)16-22-5-8-26(29-18-22)24-7-6-23(17-25(24)28)34-14-11-31-9-12-33-13-10-31;1-21-3-2-4-22(17-21)20-29-27(31)18-23-5-10-26(28-19-23)24-6-8-25(9-7-24)33-16-13-30-11-14-32-15-12-30;1-21-3-2-4-23(17-21)19-28-26(31)18-22-5-7-24(8-6-22)25-9-10-27(29-20-25)33-16-13-30-11-14-32-15-12-30;30-26(28-19-21-4-2-1-3-5-21)18-22-6-11-25(27-20-22)23-7-9-24(10-8-23)32-17-14-29-12-15-31-16-13-29;30-25(27-19-22-4-2-1-3-5-22)18-21-6-8-23(9-7-21)24-10-11-26(28-20-24)32-17-14-29-12-15-31-16-13-29/h2-10,18,20H,11-17,19H2,1H3,(H,30,33);2-12H,13-20H2,1H3,(H,29,33);2-8,15,17-18H,9-14,16,19H2,1H3,(H,30,32);2-10,17,19H,11-16,18,20H2,1H3,(H,29,31);2-10,17,20H,11-16,18-19H2,1H3,(H,28,31);1-11,20H,12-19H2,(H,28,30);1-11,20H,12-19H2,(H,27,30).
What are the key properties of N-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide?
N-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide has a molecular weight of 3142.89 g/mol, XLogP of 24.40, 63 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 159288968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).