[1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide

C25H27ClN2O5 — CID 145115632

IUPAC[1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCCC(=O)OC(Cc1ccccc1)Cc1cccc(Cl)c1.COc1ccnc(C(N)=O)c1O
InChIInChI=1S/C18H19ClO2.C7H8N2O3/c1-2-18(20)21-17(12-14-7-4-3-5-8-14)13-15-9-6-10-16(19)11-15;1-12-4-2-3-9-5(6(4)10)7(8)11/h3-11,17H,2,12-13H2,1H3;2-3,10H,1H3,(H2,8,11)
InChIKeyZDKSRPYQUXIEJC-UHFFFAOYSA-N
MW470.95 g/mol
LogP4.34
Rot. Bonds8

About [1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide

[1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide (PubChem CID 145115632) has the molecular formula C25H27ClN2O5 and a molecular weight of 470.95 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide
PubChem CID145115632
Molecular FormulaC25H27ClN2O5
Molecular Weight470.95 g/mol
Exact Mass470.16
IUPAC Name[1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCCC(=O)OC(Cc1ccccc1)Cc1cccc(Cl)c1.COc1ccnc(C(N)=O)c1O
InChIInChI=1S/C18H19ClO2.C7H8N2O3/c1-2-18(20)21-17(12-14-7-4-3-5-8-14)13-15-9-6-10-16(19)11-15;1-12-4-2-3-9-5(6(4)10)7(8)11/h3-11,17H,2,12-13H2,1H3;2-3,10H,1H3,(H2,8,11)
InChIKeyZDKSRPYQUXIEJC-UHFFFAOYSA-N
XLogP4.34
TPSA111.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.95
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate
CID 145115424
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)-4,4-dimethylpentan-2-yl] propanoate
CID 145114802
[1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate
CID 155148699
[(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
[(2S,3R)-4-(4-chlorophenyl)-3-phenylbutan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121462956
[5-ethoxy-4-(4-methylphenoxy)pentan-2-yl] propanoate;1-fluoro-4-methylbenzene;3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145115246
3-hydroxy-4-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 21088902
[(2S,3R)-3-benzyl-4-phenoxybutan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 159066073
3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid
CID 139894799

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide?
The IUPAC name of [1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide (CID 145115632) is [1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for [1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide?
The canonical SMILES for [1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide is CCC(=O)OC(Cc1ccccc1)Cc1cccc(Cl)c1.COc1ccnc(C(N)=O)c1O.
What is the InChIKey of [1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide?
The InChIKey is ZDKSRPYQUXIEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2.C7H8N2O3/c1-2-18(20)21-17(12-14-7-4-3-5-8-14)13-15-9-6-10-16(19)11-15;1-12-4-2-3-9-5(6(4)10)7(8)11/h3-11,17H,2,12-13H2,1H3;2-3,10H,1H3,(H2,8,11).
What are the key properties of [1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide?
[1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide has a molecular weight of 470.95 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 145115632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).