2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid

C23H28N2O4S — CID 151010062

IUPAC2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid
SMILESCCCSc1nc(-c2ccc(CC(=O)O)c(O)c2)ccc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H28N2O4S/c1-2-12-30-23-18(22(29)24-17-6-4-3-5-7-17)10-11-19(25-23)15-8-9-16(14-21(27)28)20(26)13-15/h8-11,13,17,26H,2-7,12,14H2,1H3,(H,24,29)(H,27,28)
InChIKeyLVXAAIROLVVYKM-UHFFFAOYSA-N
MW428.55 g/mol
LogP4.65
Rot. Bonds8

About 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid

2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid (PubChem CID 151010062) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid
PubChem CID151010062
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid
SMILESCCCSc1nc(-c2ccc(CC(=O)O)c(O)c2)ccc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H28N2O4S/c1-2-12-30-23-18(22(29)24-17-6-4-3-5-7-17)10-11-19(25-23)15-8-9-16(14-21(27)28)20(26)13-15/h8-11,13,17,26H,2-7,12,14H2,1H3,(H,24,29)(H,27,28)
InChIKeyLVXAAIROLVVYKM-UHFFFAOYSA-N
XLogP4.65
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid with MolForge

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Related Compounds

1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-1-ium-1-carboxylic acid
CID 69178250
3-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]propanoic acid
CID 24946976
4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 24946798
2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl]-2-methylpropanoic acid
CID 24947351
2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-3-yl]oxypropanoic acid
CID 24947349
(3S,5R)-4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]adamantane-1-carboxylic acid
CID 160574706
N-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide
CID 141207988
[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate
CID 67246238
3-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-3-yl]propanoic acid;2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]pyrrolidin-3-yl]acetic acid
CID 162253105
N-cyclohexyl-2-methyl-6-phenylpyridine-3-carboxamide
CID 3410229
4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]cyclohexane-1-carboxylic acid;1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-4-propan-2-ylpiperidine-4-carboxylic acid
CID 68564127
2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid
CID 114199766

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid?
The IUPAC name of 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid (CID 151010062) is 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid?
The canonical SMILES for 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid is CCCSc1nc(-c2ccc(CC(=O)O)c(O)c2)ccc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid?
The InChIKey is LVXAAIROLVVYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-2-12-30-23-18(22(29)24-17-6-4-3-5-7-17)10-11-19(25-23)15-8-9-16(14-21(27)28)20(26)13-15/h8-11,13,17,26H,2-7,12,14H2,1H3,(H,24,29)(H,27,28).
What are the key properties of 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid?
2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid has a molecular weight of 428.55 g/mol, XLogP of 4.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid is sourced from PubChem (CID 151010062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).