2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid

C27H36N2O7 — CID 135354500

IUPAC2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid
SMILESCCCCc1[nH]c(=O)c(C(=O)NC(CC2CCCCC2)C(=O)O)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C27H36N2O7/c1-4-5-12-17-21(22-19(35-2)13-9-14-20(22)36-3)24(30)23(25(31)28-17)26(32)29-18(27(33)34)15-16-10-7-6-8-11-16/h9,13-14,16,18H,4-8,10-12,15H2,1-3H3,(H,29,32)(H,33,34)(H2,28,30,31)
InChIKeyKQGYFYUIMCZTDS-UHFFFAOYSA-N
MW500.59 g/mol
LogP4.26
Rot. Bonds11

About 2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid

2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid (PubChem CID 135354500) has the molecular formula C27H36N2O7 and a molecular weight of 500.59 g/mol. Its IUPAC name is 2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid.

Molecular Properties

Compound Name2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid
PubChem CID135354500
Molecular FormulaC27H36N2O7
Molecular Weight500.59 g/mol
Exact Mass500.25
IUPAC Name2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid
SMILESCCCCc1[nH]c(=O)c(C(=O)NC(CC2CCCCC2)C(=O)O)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C27H36N2O7/c1-4-5-12-17-21(22-19(35-2)13-9-14-20(22)36-3)24(30)23(25(31)28-17)26(32)29-18(27(33)34)15-16-10-7-6-8-11-16/h9,13-14,16,18H,4-8,10-12,15H2,1-3H3,(H,29,32)(H,33,34)(H2,28,30,31)
InChIKeyKQGYFYUIMCZTDS-UHFFFAOYSA-N
XLogP4.26
TPSA137.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.59
LogP ≤ 54.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid?
The IUPAC name of 2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid (CID 135354500) is 2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid.
What is the SMILES notation for 2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid?
The canonical SMILES for 2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid is CCCCc1[nH]c(=O)c(C(=O)NC(CC2CCCCC2)C(=O)O)c(O)c1-c1c(OC)cccc1OC.
What is the InChIKey of 2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid?
The InChIKey is KQGYFYUIMCZTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O7/c1-4-5-12-17-21(22-19(35-2)13-9-14-20(22)36-3)24(30)23(25(31)28-17)26(32)29-18(27(33)34)15-16-10-7-6-8-11-16/h9,13-14,16,18H,4-8,10-12,15H2,1-3H3,(H,29,32)(H,33,34)(H2,28,30,31).
What are the key properties of 2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid?
2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid has a molecular weight of 500.59 g/mol, XLogP of 4.26, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid is sourced from PubChem (CID 135354500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).