2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate

C23H28N2O6 — CID 130433587

IUPAC2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate
SMILESCOCCOCOC(=O)c1cc(O)c(C)cc1-c1ccc(C(=O)NCC2CC2)nc1C
InChIInChI=1S/C23H28N2O6/c1-14-10-18(19(11-21(14)26)23(28)31-13-30-9-8-29-3)17-6-7-20(25-15(17)2)22(27)24-12-16-4-5-16/h6-7,10-11,16,26H,4-5,8-9,12-13H2,1-3H3,(H,24,27)
InChIKeySWXIMPIKRASPEO-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.99
Rot. Bonds10

About 2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate

2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate (PubChem CID 130433587) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate
PubChem CID130433587
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate
SMILESCOCCOCOC(=O)c1cc(O)c(C)cc1-c1ccc(C(=O)NCC2CC2)nc1C
InChIInChI=1S/C23H28N2O6/c1-14-10-18(19(11-21(14)26)23(28)31-13-30-9-8-29-3)17-6-7-20(25-15(17)2)22(27)24-12-16-4-5-16/h6-7,10-11,16,26H,4-5,8-9,12-13H2,1-3H3,(H,24,27)
InChIKeySWXIMPIKRASPEO-UHFFFAOYSA-N
XLogP2.99
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate?
The IUPAC name of 2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate (CID 130433587) is 2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate.
What is the SMILES notation for 2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate?
The canonical SMILES for 2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate is COCCOCOC(=O)c1cc(O)c(C)cc1-c1ccc(C(=O)NCC2CC2)nc1C.
What is the InChIKey of 2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate?
The InChIKey is SWXIMPIKRASPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-14-10-18(19(11-21(14)26)23(28)31-13-30-9-8-29-3)17-6-7-20(25-15(17)2)22(27)24-12-16-4-5-16/h6-7,10-11,16,26H,4-5,8-9,12-13H2,1-3H3,(H,24,27).
What are the key properties of 2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate?
2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate has a molecular weight of 428.49 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate is sourced from PubChem (CID 130433587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).