N-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide

C30H28F2N2O4 — CID 10208094

IUPACN-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
SMILESCC(Oc1ccc(-c2ccc(CNC(=O)c3cccnc3Oc3ccc(F)cc3)c(F)c2)cc1)C(C)(C)O
InChIInChI=1S/C30H28F2N2O4/c1-19(30(2,3)36)37-24-12-8-20(9-13-24)21-6-7-22(27(32)17-21)18-34-28(35)26-5-4-16-33-29(26)38-25-14-10-23(31)11-15-25/h4-17,19,36H,18H2,1-3H3,(H,34,35)
InChIKeyOPGQQYXHHWTWFJ-UHFFFAOYSA-N
MW518.56 g/mol
LogP6.29
Rot. Bonds9

About N-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide

N-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide (PubChem CID 10208094) has the molecular formula C30H28F2N2O4 and a molecular weight of 518.56 g/mol. Its IUPAC name is N-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
PubChem CID10208094
Molecular FormulaC30H28F2N2O4
Molecular Weight518.56 g/mol
Exact Mass518.20
IUPAC NameN-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
SMILESCC(Oc1ccc(-c2ccc(CNC(=O)c3cccnc3Oc3ccc(F)cc3)c(F)c2)cc1)C(C)(C)O
InChIInChI=1S/C30H28F2N2O4/c1-19(30(2,3)36)37-24-12-8-20(9-13-24)21-6-7-22(27(32)17-21)18-34-28(35)26-5-4-16-33-29(26)38-25-14-10-23(31)11-15-25/h4-17,19,36H,18H2,1-3H3,(H,34,35)
InChIKeyOPGQQYXHHWTWFJ-UHFFFAOYSA-N
XLogP6.29
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.56
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate
CID 69414854
methyl 2-[4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
CID 10159242
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296
2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenoxy]-2-methylpropanoic acid
CID 22610171
2-[4-[[[2-[(4-benzyl-1,2,5-thiadiazol-3-yl)oxy]pyridine-3-carbonyl]amino]methyl]-3-fluorophenoxy]-2-methylpropanoic acid
CID 69424601
N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 141060333
2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612119
2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612370
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenoxy)pyridine-3-carboxamide
CID 22612146
N-(2-amino-2-methylpropyl)-2-(4-bromophenoxy)pyridine-3-carboxamide
CID 119627181
2-(4-fluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 18734935

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide (CID 10208094) is N-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide is CC(Oc1ccc(-c2ccc(CNC(=O)c3cccnc3Oc3ccc(F)cc3)c(F)c2)cc1)C(C)(C)O.
What is the InChIKey of N-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide?
The InChIKey is OPGQQYXHHWTWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N2O4/c1-19(30(2,3)36)37-24-12-8-20(9-13-24)21-6-7-22(27(32)17-21)18-34-28(35)26-5-4-16-33-29(26)38-25-14-10-23(31)11-15-25/h4-17,19,36H,18H2,1-3H3,(H,34,35).
What are the key properties of N-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide?
N-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide has a molecular weight of 518.56 g/mol, XLogP of 6.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 10208094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).