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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Related Compounds

methyl 2-methyl-6-(3-methylmorpholin-4-yl)pyridine-3-carboxylate
CID 133418545
methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 113337632
methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 102986351
methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate
CID 133421229
methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate
CID 133420753
methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate
CID 133432159
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
methyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate
CID 133420343
methyl 2-methyl-6-[(2S,3R,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate
CID 124861807
methyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate
CID 124861805
methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate
CID 133465271
methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate
CID 133391396

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).