1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid)

C127H122F5N11O17 — CID 172981964

IUPAC1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid)
SMILESCC(=O)NC(C(=O)CCc1ccc(OCc2cccc(F)c2)cc1)c1ccccn1.CCOC(=O)Cc1ccccn1.NC(C(=O)CCc1ccc(OCc2cccc(F)c2)cc1)c1ccccn1.NCc1ccc(OCc2cccc(F)c2)cc1.O=C(CCc1ccc(OCc2cccc(F)c2)cc1)/C(=N/O)c1ccccn1.O=C(CCc1ccc(OCc2cccc(F)c2)cc1)Cc1ccccn1.O=C(O)Cc1ccccn1.O=C(O)Cc1ccccn1
InChIInChI=1S/C24H23FN2O3.C22H19FN2O3.C22H21FN2O2.C22H20FNO2.C14H14FNO.C9H11NO2.2C7H7NO2/c1-17(28)27-24(22-7-2-3-14-26-22)23(29)13-10-18-8-11-21(12-9-18)30-16-19-5-4-6-20(25)15-19;23-18-5-3-4-17(14-18)15-28-19-10-7-16(8-11-19)9-12-21(26)22(25-27)20-6-1-2-13-24-20;23-18-5-3-4-17(14-18)15-27-19-10-7-16(8-11-19)9-12-21(26)22(24)20-6-1-2-13-25-20;23-19-5-3-4-18(14-19)16-26-22-11-8-17(9-12-22)7-10-21(25)15-20-6-1-2-13-24-20;15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14;1-2-12-9(11)7-8-5-3-4-6-10-8;2*9-7(10)5-6-3-1-2-4-8-6/h2-9,11-12,14-15,24H,10,13,16H2,1H3,(H,27,28);1-8,10-11,13-14,27H,9,12,15H2;1-8,10-11,13-14,22H,9,12,15,24H2;1-6,8-9,11-14H,7,10,15-16H2;1-8H,9-10,16H2;3-6H,2,7H2,1H3;2*1-4H,5H2,(H,9,10)/b;25-22+;;;;;;
InChIKeyQBYGAVFOYQJFJL-NPRZMXOOSA-N
MW2169.42 g/mol
LogP22.37
Rot. Bonds44

About 1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid)

1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid) (PubChem CID 172981964) has the molecular formula C127H122F5N11O17 and a molecular weight of 2169.42 g/mol. Its IUPAC name is 1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid).

Molecular Properties

Compound Name1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid)
PubChem CID172981964
Molecular FormulaC127H122F5N11O17
Molecular Weight2169.42 g/mol
Exact Mass2167.89
IUPAC Name1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid)
SMILESCC(=O)NC(C(=O)CCc1ccc(OCc2cccc(F)c2)cc1)c1ccccn1.CCOC(=O)Cc1ccccn1.NC(C(=O)CCc1ccc(OCc2cccc(F)c2)cc1)c1ccccn1.NCc1ccc(OCc2cccc(F)c2)cc1.O=C(CCc1ccc(OCc2cccc(F)c2)cc1)/C(=N/O)c1ccccn1.O=C(CCc1ccc(OCc2cccc(F)c2)cc1)Cc1ccccn1.O=C(O)Cc1ccccn1.O=C(O)Cc1ccccn1
InChIInChI=1S/C24H23FN2O3.C22H19FN2O3.C22H21FN2O2.C22H20FNO2.C14H14FNO.C9H11NO2.2C7H7NO2/c1-17(28)27-24(22-7-2-3-14-26-22)23(29)13-10-18-8-11-21(12-9-18)30-16-19-5-4-6-20(25)15-19;23-18-5-3-4-17(14-18)15-28-19-10-7-16(8-11-19)9-12-21(26)22(25-27)20-6-1-2-13-24-20;23-18-5-3-4-17(14-18)15-27-19-10-7-16(8-11-19)9-12-21(26)22(24)20-6-1-2-13-25-20;23-19-5-3-4-18(14-19)16-26-22-11-8-17(9-12-22)7-10-21(25)15-20-6-1-2-13-24-20;15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14;1-2-12-9(11)7-8-5-3-4-6-10-8;2*9-7(10)5-6-3-1-2-4-8-6/h2-9,11-12,14-15,24H,10,13,16H2,1H3,(H,27,28);1-8,10-11,13-14,27H,9,12,15H2;1-8,10-11,13-14,22H,9,12,15,24H2;1-6,8-9,11-14H,7,10,15-16H2;1-8H,9-10,16H2;3-6H,2,7H2,1H3;2*1-4H,5H2,(H,9,10)/b;25-22+;;;;;;
InChIKeyQBYGAVFOYQJFJL-NPRZMXOOSA-N
XLogP22.37
TPSA419.29 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds44
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002169.42
LogP ≤ 522.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid)?
The IUPAC name of 1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid) (CID 172981964) is 1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid).
What is the SMILES notation for 1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid)?
The canonical SMILES for 1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid) is CC(=O)NC(C(=O)CCc1ccc(OCc2cccc(F)c2)cc1)c1ccccn1.CCOC(=O)Cc1ccccn1.NC(C(=O)CCc1ccc(OCc2cccc(F)c2)cc1)c1ccccn1.NCc1ccc(OCc2cccc(F)c2)cc1.O=C(CCc1ccc(OCc2cccc(F)c2)cc1)/C(=N/O)c1ccccn1.O=C(CCc1ccc(OCc2cccc(F)c2)cc1)Cc1ccccn1.O=C(O)Cc1ccccn1.O=C(O)Cc1ccccn1.
What is the InChIKey of 1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid)?
The InChIKey is QBYGAVFOYQJFJL-NPRZMXOOSA-N. The full InChI is InChI=1S/C24H23FN2O3.C22H19FN2O3.C22H21FN2O2.C22H20FNO2.C14H14FNO.C9H11NO2.2C7H7NO2/c1-17(28)27-24(22-7-2-3-14-26-22)23(29)13-10-18-8-11-21(12-9-18)30-16-19-5-4-6-20(25)15-19;23-18-5-3-4-17(14-18)15-28-19-10-7-16(8-11-19)9-12-21(26)22(25-27)20-6-1-2-13-24-20;23-18-5-3-4-17(14-18)15-27-19-10-7-16(8-11-19)9-12-21(26)22(24)20-6-1-2-13-25-20;23-19-5-3-4-18(14-19)16-26-22-11-8-17(9-12-22)7-10-21(25)15-20-6-1-2-13-24-20;15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14;1-2-12-9(11)7-8-5-3-4-6-10-8;2*9-7(10)5-6-3-1-2-4-8-6/h2-9,11-12,14-15,24H,10,13,16H2,1H3,(H,27,28);1-8,10-11,13-14,27H,9,12,15H2;1-8,10-11,13-14,22H,9,12,15,24H2;1-6,8-9,11-14H,7,10,15-16H2;1-8H,9-10,16H2;3-6H,2,7H2,1H3;2*1-4H,5H2,(H,9,10)/b;25-22+;;;;;;.
What are the key properties of 1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid)?
1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid) has a molecular weight of 2169.42 g/mol, XLogP of 22.37, 44 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;ethyl 2-pyridin-2-ylacetate;(1E)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-hydroxyimino-1-pyridin-2-ylbutan-2-one;[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;N-[4-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxo-1-pyridin-2-ylbutyl]acetamide;4-[4-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-2-ylbutan-2-one;bis(2-pyridin-2-ylacetic acid) is sourced from PubChem (CID 172981964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).