butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate

C23H34N2O5 — CID 145115424

IUPACbutane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate
SMILESCCC(=O)OC(C)Cc1ccccc1.CCCC.COc1ccnc(C(N)=O)c1O
InChIInChI=1S/C12H16O2.C7H8N2O3.C4H10/c1-3-12(13)14-10(2)9-11-7-5-4-6-8-11;1-12-4-2-3-9-5(6(4)10)7(8)11;1-3-4-2/h4-8,10H,3,9H2,1-2H3;2-3,10H,1H3,(H2,8,11);3-4H2,1-2H3
InChIKeyQQUJHKKFMISPEY-UHFFFAOYSA-N
MW418.53 g/mol
LogP4.27
Rot. Bonds7

About butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate

butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate (PubChem CID 145115424) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate.

Molecular Properties

Compound Namebutane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate
PubChem CID145115424
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC Namebutane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate
SMILESCCC(=O)OC(C)Cc1ccccc1.CCCC.COc1ccnc(C(N)=O)c1O
InChIInChI=1S/C12H16O2.C7H8N2O3.C4H10/c1-3-12(13)14-10(2)9-11-7-5-4-6-8-11;1-12-4-2-3-9-5(6(4)10)7(8)11;1-3-4-2/h4-8,10H,3,9H2,1-2H3;2-3,10H,1H3,(H2,8,11);3-4H2,1-2H3
InChIKeyQQUJHKKFMISPEY-UHFFFAOYSA-N
XLogP4.27
TPSA111.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145114321
4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate
CID 145115616
[1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145115632
[(2S)-1-phenylpropan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 146589882
(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-fluoro-3-methylbenzene;1-(4-fluorophenyl)propan-2-yl propanoate
CID 145114250
4-(cyclopropylmethoxy)butan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide;1-methoxy-4-methylbenzene
CID 145115167
[5-ethoxy-4-(4-methylphenoxy)pentan-2-yl] propanoate;1-fluoro-4-methylbenzene;3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145115246
1-(4-methylphenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbothioyl)amino]acetate
CID 142298969
1-(4-fluorophenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbothioyl)amino]acetate
CID 142298942
[(4R)-4-benzylhexan-2-yl] 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate;1-fluoro-4-methylbenzene
CID 145115262
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate
CID 145115673
[(2S,3R)-3-benzyl-4-phenoxybutan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 159066073

Frequently Asked Questions

What is the IUPAC name of butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate?
The IUPAC name of butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate (CID 145115424) is butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate.
What is the SMILES notation for butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate?
The canonical SMILES for butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate is CCC(=O)OC(C)Cc1ccccc1.CCCC.COc1ccnc(C(N)=O)c1O.
What is the InChIKey of butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate?
The InChIKey is QQUJHKKFMISPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.C7H8N2O3.C4H10/c1-3-12(13)14-10(2)9-11-7-5-4-6-8-11;1-12-4-2-3-9-5(6(4)10)7(8)11;1-3-4-2/h4-8,10H,3,9H2,1-2H3;2-3,10H,1H3,(H2,8,11);3-4H2,1-2H3.
What are the key properties of butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate?
butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate has a molecular weight of 418.53 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate is sourced from PubChem (CID 145115424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).