4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate

C26H31FN2O6 — CID 145115616

IUPAC4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate
SMILESCCC(=O)OC(C)Cc1ccc(C)cc1.COc1ccnc(C(N)=O)c1O.Oc1ccc(F)cc1
InChIInChI=1S/C13H18O2.C7H8N2O3.C6H5FO/c1-4-13(14)15-11(3)9-12-7-5-10(2)6-8-12;1-12-4-2-3-9-5(6(4)10)7(8)11;7-5-1-3-6(8)4-2-5/h5-8,11H,4,9H2,1-3H3;2-3,10H,1H3,(H2,8,11);1-4,8H
InChIKeyWMXNUGODZKLCLV-UHFFFAOYSA-N
MW486.54 g/mol
LogP4.31
Rot. Bonds6

About 4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate

4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate (PubChem CID 145115616) has the molecular formula C26H31FN2O6 and a molecular weight of 486.54 g/mol. Its IUPAC name is 4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate.

Molecular Properties

Compound Name4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate
PubChem CID145115616
Molecular FormulaC26H31FN2O6
Molecular Weight486.54 g/mol
Exact Mass486.22
IUPAC Name4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate
SMILESCCC(=O)OC(C)Cc1ccc(C)cc1.COc1ccnc(C(N)=O)c1O.Oc1ccc(F)cc1
InChIInChI=1S/C13H18O2.C7H8N2O3.C6H5FO/c1-4-13(14)15-11(3)9-12-7-5-10(2)6-8-12;1-12-4-2-3-9-5(6(4)10)7(8)11;7-5-1-3-6(8)4-2-5/h5-8,11H,4,9H2,1-3H3;2-3,10H,1H3,(H2,8,11);1-4,8H
InChIKeyWMXNUGODZKLCLV-UHFFFAOYSA-N
XLogP4.31
TPSA131.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145114321
butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate
CID 145115424
[5-ethoxy-4-(4-methylphenoxy)pentan-2-yl] propanoate;1-fluoro-4-methylbenzene;3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145115246
(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
1-(4-methylphenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbothioyl)amino]acetate
CID 142298969
4-fluoro-2-methoxy-1-methylbenzene;1-(4-methylphenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbothioyl)amino]acetate
CID 142298987
[(4R)-4-benzylhexan-2-yl] 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate;1-fluoro-4-methylbenzene
CID 145115262
4-(cyclopropylmethoxy)butan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide;1-methoxy-4-methylbenzene
CID 145115167
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-fluoro-4-methylbenzene;(4-methoxy-4-methylpentan-2-yl) propanoate
CID 145115148
1-fluoro-4-methylbenzene;[(4R)-4-[[4-(trifluoromethyl)phenyl]methyl]hexan-2-yl] 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
CID 145115244
[1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145115632

Frequently Asked Questions

What is the IUPAC name of 4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate?
The IUPAC name of 4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate (CID 145115616) is 4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate.
What is the SMILES notation for 4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate?
The canonical SMILES for 4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate is CCC(=O)OC(C)Cc1ccc(C)cc1.COc1ccnc(C(N)=O)c1O.Oc1ccc(F)cc1.
What is the InChIKey of 4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate?
The InChIKey is WMXNUGODZKLCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.C7H8N2O3.C6H5FO/c1-4-13(14)15-11(3)9-12-7-5-10(2)6-8-12;1-12-4-2-3-9-5(6(4)10)7(8)11;7-5-1-3-6(8)4-2-5/h5-8,11H,4,9H2,1-3H3;2-3,10H,1H3,(H2,8,11);1-4,8H.
What are the key properties of 4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate?
4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate has a molecular weight of 486.54 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate is sourced from PubChem (CID 145115616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).