N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid

C110H100F3N11O14 — CID 158390723

IUPACN-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
SMILESCCCCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.CCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)NO)c[nH]4)c3)cc2)c1.Cc1cccc(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)cc2)c1
InChIInChI=1S/C30H30FN3O3.C28H26FN3O3.C26H22FN3O4.C26H22N2O4/c1-3-4-12-33-30(36)23-17-28(34-19-23)29-18-26(11-13-32-29)37-25-8-6-21(7-9-25)15-24(35)16-22-14-20(2)5-10-27(22)31;1-3-30-28(34)21-15-26(32-17-21)27-16-24(10-11-31-27)35-23-7-5-19(6-8-23)13-22(33)14-20-12-18(2)4-9-25(20)29;1-16-2-7-23(27)18(10-16)12-20(31)11-17-3-5-21(6-4-17)34-22-8-9-28-25(14-22)24-13-19(15-29-24)26(32)30-33;1-17-3-2-4-19(11-17)13-21(29)12-18-5-7-22(8-6-18)32-23-9-10-27-25(15-23)24-14-20(16-28-24)26(30)31/h5-11,13-14,17-19,34H,3-4,12,15-16H2,1-2H3,(H,33,36);4-12,15-17,32H,3,13-14H2,1-2H3,(H,30,34);2-10,13-15,29,33H,11-12H2,1H3,(H,30,32);2-11,14-16,28H,12-13H2,1H3,(H,30,31)
InChIKeyGWXUMPLNYDUVFX-UHFFFAOYSA-N
MW1857.07 g/mol
LogP21.64
Rot. Bonds36

About N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid

N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid (PubChem CID 158390723) has the molecular formula C110H100F3N11O14 and a molecular weight of 1857.07 g/mol. Its IUPAC name is N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound NameN-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
PubChem CID158390723
Molecular FormulaC110H100F3N11O14
Molecular Weight1857.07 g/mol
Exact Mass1855.74
IUPAC NameN-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
SMILESCCCCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.CCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)NO)c[nH]4)c3)cc2)c1.Cc1cccc(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)cc2)c1
InChIInChI=1S/C30H30FN3O3.C28H26FN3O3.C26H22FN3O4.C26H22N2O4/c1-3-4-12-33-30(36)23-17-28(34-19-23)29-18-26(11-13-32-29)37-25-8-6-21(7-9-25)15-24(35)16-22-14-20(2)5-10-27(22)31;1-3-30-28(34)21-15-26(32-17-21)27-16-24(10-11-31-27)35-23-7-5-19(6-8-23)13-22(33)14-20-12-18(2)4-9-25(20)29;1-16-2-7-23(27)18(10-16)12-20(31)11-17-3-5-21(6-4-17)34-22-8-9-28-25(14-22)24-13-19(15-29-24)26(32)30-33;1-17-3-2-4-19(11-17)13-21(29)12-18-5-7-22(8-6-18)32-23-9-10-27-25(15-23)24-14-20(16-28-24)26(30)31/h5-11,13-14,17-19,34H,3-4,12,15-16H2,1-2H3,(H,33,36);4-12,15-17,32H,3,13-14H2,1-2H3,(H,30,34);2-10,13-15,29,33H,11-12H2,1H3,(H,30,32);2-11,14-16,28H,12-13H2,1H3,(H,30,31)
InChIKeyGWXUMPLNYDUVFX-UHFFFAOYSA-N
XLogP21.64
TPSA364.75 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001857.07
LogP ≤ 521.64
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[[5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]butanoic acid
CID 58167773
5-[4-[2-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
CID 58167791
5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
CID 58167794
1-[5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 58167802
5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[4-(hydroxyamino)-4-oxobutyl]-1H-pyrrole-3-carboxamide
CID 58167812
5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
CID 58167824
3-[[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propanoic acid
CID 58167842
5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
CID 58167847
1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one
CID 58167860
4-[[5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]butanoic acid
CID 58167861
2-[1-[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]piperidin-4-yl]acetic acid
CID 58167870
1-[5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 58167875

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid?
The IUPAC name of N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid (CID 158390723) is N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid is CCCCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.CCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)NO)c[nH]4)c3)cc2)c1.Cc1cccc(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)cc2)c1.
What is the InChIKey of N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid?
The InChIKey is GWXUMPLNYDUVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN3O3.C28H26FN3O3.C26H22FN3O4.C26H22N2O4/c1-3-4-12-33-30(36)23-17-28(34-19-23)29-18-26(11-13-32-29)37-25-8-6-21(7-9-25)15-24(35)16-22-14-20(2)5-10-27(22)31;1-3-30-28(34)21-15-26(32-17-21)27-16-24(10-11-31-27)35-23-7-5-19(6-8-23)13-22(33)14-20-12-18(2)4-9-25(20)29;1-16-2-7-23(27)18(10-16)12-20(31)11-17-3-5-21(6-4-17)34-22-8-9-28-25(14-22)24-13-19(15-29-24)26(32)30-33;1-17-3-2-4-19(11-17)13-21(29)12-18-5-7-22(8-6-18)32-23-9-10-27-25(15-23)24-14-20(16-28-24)26(30)31/h5-11,13-14,17-19,34H,3-4,12,15-16H2,1-2H3,(H,33,36);4-12,15-17,32H,3,13-14H2,1-2H3,(H,30,34);2-10,13-15,29,33H,11-12H2,1H3,(H,30,32);2-11,14-16,28H,12-13H2,1H3,(H,30,31).
What are the key properties of N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid?
N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid has a molecular weight of 1857.07 g/mol, XLogP of 21.64, 36 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-hydroxy-1H-pyrrole-3-carboxamide;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 158390723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).