2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate

C18H20N2O6 — CID 122383458

IUPAC2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
SMILESCOCCOC(=O)c1ccnc(-c2cc(C(=O)OCCOC)ccn2)c1
InChIInChI=1S/C18H20N2O6/c1-23-7-9-25-17(21)13-3-5-19-15(11-13)16-12-14(4-6-20-16)18(22)26-10-8-24-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyFICYPIJBYCXOCE-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.75
Rot. Bonds9

About 2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate

2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate (PubChem CID 122383458) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
PubChem CID122383458
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
SMILESCOCCOC(=O)c1ccnc(-c2cc(C(=O)OCCOC)ccn2)c1
InChIInChI=1S/C18H20N2O6/c1-23-7-9-25-17(21)13-3-5-19-15(11-13)16-12-14(4-6-20-16)18(22)26-10-8-24-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyFICYPIJBYCXOCE-UHFFFAOYSA-N
XLogP1.75
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
2,2'-Bipyridine-3,3'-dicarboxylic Acid
CID 681885
Methyl 6-quinoxalinecarboxylate
CID 2781239
Hepronicate
CID 3588
2,2'-Bipyridine-4-Carboxylic Acid
CID 9942424
4'-(Methoxycarbonyl)-[2,2'-bipyridine]-4-carboxylic acid
CID 25138011
4'-[(2-Aminoethyl)carbamoyl]-2,2'-Bipyridine-4-Carboxylic Acid
CID 45377880
4'-[(2-Phenylethyl)carbamoyl][2,2'-Bipyridine]-4-Carboxylic Acid
CID 45378188
(2,2'-Bipyridine)-5-carboxylic acid
CID 192752
4,4'-Dimethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 326419
methyl 4'-(phenethylcarbamoyl)-[2,2'-bipyridine]-4-carboxylate (N4)
CID 121595845
Ethyl 3-phenylquinoxaline-6-carboxylate
CID 4641052

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate?
The IUPAC name of 2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate (CID 122383458) is 2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate?
The canonical SMILES for 2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate is COCCOC(=O)c1ccnc(-c2cc(C(=O)OCCOC)ccn2)c1.
What is the InChIKey of 2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate?
The InChIKey is FICYPIJBYCXOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-23-7-9-25-17(21)13-3-5-19-15(11-13)16-12-14(4-6-20-16)18(22)26-10-8-24-2/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate?
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate has a molecular weight of 360.37 g/mol, XLogP of 1.75, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate is sourced from PubChem (CID 122383458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).