2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid

C15H22N2O4 — CID 67287220

IUPAC2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
SMILESCOCCCc1nc(N2CCOCC2)cc(C)c1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-11-10-13(17-5-8-21-9-6-17)16-12(4-3-7-20-2)14(11)15(18)19/h10H,3-9H2,1-2H3,(H,18,19)
InChIKeyYCKZKOIXMXUFMN-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.50
Rot. Bonds6

About 2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid

2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid (PubChem CID 67287220) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
PubChem CID67287220
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
SMILESCOCCCc1nc(N2CCOCC2)cc(C)c1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-11-10-13(17-5-8-21-9-6-17)16-12(4-3-7-20-2)14(11)15(18)19/h10H,3-9H2,1-2H3,(H,18,19)
InChIKeyYCKZKOIXMXUFMN-UHFFFAOYSA-N
XLogP1.50
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid (CID 67287220) is 2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid is COCCCc1nc(N2CCOCC2)cc(C)c1C(=O)O.
What is the InChIKey of 2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid?
The InChIKey is YCKZKOIXMXUFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-10-13(17-5-8-21-9-6-17)16-12(4-3-7-20-2)14(11)15(18)19/h10H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid?
2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 67287220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).