benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide

C25H29FN2O5 — CID 145114321

IUPACbenzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCCC(=O)OC(C)Cc1ccc(F)cc1.COc1ccnc(C(N)=O)c1O.c1ccccc1
InChIInChI=1S/C12H15FO2.C7H8N2O3.C6H6/c1-3-12(14)15-9(2)8-10-4-6-11(13)7-5-10;1-12-4-2-3-9-5(6(4)10)7(8)11;1-2-4-6-5-3-1/h4-7,9H,3,8H2,1-2H3;2-3,10H,1H3,(H2,8,11);1-6H
InChIKeyYQEGUAXBBYDJJL-UHFFFAOYSA-N
MW456.51 g/mol
LogP4.29
Rot. Bonds6

About benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide

benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide (PubChem CID 145114321) has the molecular formula C25H29FN2O5 and a molecular weight of 456.51 g/mol. Its IUPAC name is benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Namebenzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide
PubChem CID145114321
Molecular FormulaC25H29FN2O5
Molecular Weight456.51 g/mol
Exact Mass456.21
IUPAC Namebenzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCCC(=O)OC(C)Cc1ccc(F)cc1.COc1ccnc(C(N)=O)c1O.c1ccccc1
InChIInChI=1S/C12H15FO2.C7H8N2O3.C6H6/c1-3-12(14)15-9(2)8-10-4-6-11(13)7-5-10;1-12-4-2-3-9-5(6(4)10)7(8)11;1-2-4-6-5-3-1/h4-7,9H,3,8H2,1-2H3;2-3,10H,1H3,(H2,8,11);1-6H
InChIKeyYQEGUAXBBYDJJL-UHFFFAOYSA-N
XLogP4.29
TPSA111.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate
CID 145115616
butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate
CID 145115424
(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-fluoro-3-methylbenzene;1-(4-fluorophenyl)propan-2-yl propanoate
CID 145114250
1-(4-fluorophenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbothioyl)amino]acetate
CID 142298942
[5-ethoxy-4-(4-methylphenoxy)pentan-2-yl] propanoate;1-fluoro-4-methylbenzene;3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145115246
[1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145115632
[(4R)-4-benzylhexan-2-yl] 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate;1-fluoro-4-methylbenzene
CID 145115262
[4-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]butan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121462969
[(2S)-1-phenylpropan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 146589882
4-fluoro-2-methoxy-1-methylbenzene;1-(4-methylphenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbothioyl)amino]acetate
CID 142298987
1-(4-methylphenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbothioyl)amino]acetate
CID 142298969
1-fluoro-4-methylbenzene;[(4R)-4-[[4-(trifluoromethyl)phenyl]methyl]hexan-2-yl] 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
CID 145115244

Frequently Asked Questions

What is the IUPAC name of benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide?
The IUPAC name of benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide (CID 145114321) is benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide?
The canonical SMILES for benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide is CCC(=O)OC(C)Cc1ccc(F)cc1.COc1ccnc(C(N)=O)c1O.c1ccccc1.
What is the InChIKey of benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide?
The InChIKey is YQEGUAXBBYDJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2.C7H8N2O3.C6H6/c1-3-12(14)15-9(2)8-10-4-6-11(13)7-5-10;1-12-4-2-3-9-5(6(4)10)7(8)11;1-2-4-6-5-3-1/h4-7,9H,3,8H2,1-2H3;2-3,10H,1H3,(H2,8,11);1-6H.
What are the key properties of benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide?
benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide has a molecular weight of 456.51 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 145114321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).