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;2-pyridin-2-ylacetic acid

C120H115F5N10O15 — CID 172917499

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;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
InChIInChI=1S/C24H23FN2O3.C22H19FN2O3.C22H21FN2O2.C22H20FNO2.C14H14FNO.C9H11NO2.C7H7NO2/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;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;1-4H,5H2,(H,9,10)/b;25-22+;;;;;
InChIKeyIPWMLMZQKATBEG-DJUDFXFRSA-N
MW2032.28 g/mol
LogP21.66
Rot. Bonds42

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;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;2-pyridin-2-ylacetic acid (PubChem CID 172917499) has the molecular formula C120H115F5N10O15 and a molecular weight of 2032.28 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;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;2-pyridin-2-ylacetic acid
PubChem CID172917499
Molecular FormulaC120H115F5N10O15
Molecular Weight2032.28 g/mol
Exact Mass2030.85
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;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
InChIInChI=1S/C24H23FN2O3.C22H19FN2O3.C22H21FN2O2.C22H20FNO2.C14H14FNO.C9H11NO2.C7H7NO2/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;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;1-4H,5H2,(H,9,10)/b;25-22+;;;;;
InChIKeyIPWMLMZQKATBEG-DJUDFXFRSA-N
XLogP21.66
TPSA369.10 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds42
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002032.28
LogP ≤ 521.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

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;2-pyridin-2-ylacetic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate
CID 139212377
benzyl N-[(2S)-1-[[5-(dipyridin-2-ylmethylamino)-4,4-difluoro-3,5-dioxo-1-(4-phenylmethoxyphenyl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 22882136
benzyl N-[(2S)-1-[[5-(dipyridin-2-ylmethylamino)-4,4-difluoro-3-hydroxy-5-oxo-1-(4-phenylmethoxyphenyl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 22882139
pyridin-2-ylmethyl N-[(2S)-1-[[4,4-difluoro-5-[[(2R)-3-methyl-1-(pyridin-3-ylmethoxy)butan-2-yl]amino]-3,5-dioxo-1-(4-phenylmethoxyphenyl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 53781910
pyridin-3-ylmethyl N-[1-[[4,4-difluoro-3,5-dioxo-1-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 57223736
pyridin-3-ylmethyl N-[1-[[4,4-difluoro-3,5-dioxo-1-(4-phenylmethoxyphenyl)-5-(pyridin-2-ylmethylamino)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 57285361
3-[[4-[(4-Tert-butylphenyl)-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]benzoyl]amino]propanoic acid;methyl 3-[[4-[(4-tert-butylphenyl)-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]benzoyl]amino]propanoate
CID 87417609
Methyl 3-[[4-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentoxy]benzoyl]amino]propanoate;3-[[4-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentoxy]benzoyl]amino]propanoic acid
CID 87417655
Tert-butyl 3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]octoxy]benzoyl]amino]propanoate;3-[[4-[2-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]octoxy]benzoyl]amino]propanoic acid
CID 87417688
Tert-butyl 3-[[4-[1-[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]hexoxy]benzoyl]amino]propanoate;3-[[4-[1-[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]hexoxy]benzoyl]amino]propanoic acid
CID 87418431
pyridin-2-ylmethyl N-[(2S)-1-[[4,4-difluoro-5-[[(2R)-3-methyl-1-(pyridin-3-ylmethoxy)butan-2-yl]amino]-3,5-dioxo-1-[4-(pyridin-3-ylmethoxy)phenyl]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 88139613
N-cyclohexyl-N,3-dimethylbutanamide;cyclohexyl 3-methylbutanoate;N,3-dimethyl-N-(3-methylbutyl)butanamide;1,1-dimethyl-3-(3-methylbutyl)cyclopentane;1-fluoro-4-(4-methylpentyl)benzene;3-methylbutyl 3-methylbutanoate;1-(3-methylbutyl)piperazine;1-(3-methylbutyl)piperidine;methyl 3-methylbutanoate;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methylpentylbenzene;3-(4-methylpentyl)pyridine;1-(4-methylpentyl)-4-(trifluoromethyl)benzene;(4-methylphenyl) 3-methylbutanoate;propan-2-yl 3-methylbutanoate
CID 157223997

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;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;2-pyridin-2-ylacetic acid (CID 172917499) 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;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;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;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.
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;2-pyridin-2-ylacetic acid?
The InChIKey is IPWMLMZQKATBEG-DJUDFXFRSA-N. The full InChI is InChI=1S/C24H23FN2O3.C22H19FN2O3.C22H21FN2O2.C22H20FNO2.C14H14FNO.C9H11NO2.C7H7NO2/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;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;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;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;2-pyridin-2-ylacetic acid has a molecular weight of 2032.28 g/mol, XLogP of 21.66, 42 rotatable bonds, 5 hydrogen bond donors, and 23 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;2-pyridin-2-ylacetic acid is sourced from PubChem (CID 172917499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).