methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate

C17H25N3O3 — CID 133419030

IUPACmethyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CC(C)C(N3CCOCC3)C2)nc1C
InChIInChI=1S/C17H25N3O3/c1-12-10-20(11-15(12)19-6-8-23-9-7-19)16-5-4-14(13(2)18-16)17(21)22-3/h4-5,12,15H,6-11H2,1-3H3
InChIKeyKQRUCTNSNWYLJZ-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.33
Rot. Bonds3

About methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate

methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate (PubChem CID 133419030) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate
PubChem CID133419030
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Namemethyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CC(C)C(N3CCOCC3)C2)nc1C
InChIInChI=1S/C17H25N3O3/c1-12-10-20(11-15(12)19-6-8-23-9-7-19)16-5-4-14(13(2)18-16)17(21)22-3/h4-5,12,15H,6-11H2,1-3H3
InChIKeyKQRUCTNSNWYLJZ-UHFFFAOYSA-N
XLogP1.33
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate (CID 133419030) is methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate is COC(=O)c1ccc(N2CC(C)C(N3CCOCC3)C2)nc1C.
What is the InChIKey of methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate?
The InChIKey is KQRUCTNSNWYLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-10-20(11-15(12)19-6-8-23-9-7-19)16-5-4-14(13(2)18-16)17(21)22-3/h4-5,12,15H,6-11H2,1-3H3.
What are the key properties of methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate?
methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 133419030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).