methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate

C16H22N2O3 — CID 133421229

IUPACmethyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC3OCCCC3C2)nc1C
InChIInChI=1S/C16H22N2O3/c1-11-13(16(19)20-2)5-6-15(17-11)18-8-7-14-12(10-18)4-3-9-21-14/h5-6,12,14H,3-4,7-10H2,1-2H3
InChIKeyUDTYEQLTFLTWLM-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.18
Rot. Bonds2

About methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate

methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate (PubChem CID 133421229) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate
PubChem CID133421229
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC3OCCCC3C2)nc1C
InChIInChI=1S/C16H22N2O3/c1-11-13(16(19)20-2)5-6-15(17-11)18-8-7-14-12(10-18)4-3-9-21-14/h5-6,12,14H,3-4,7-10H2,1-2H3
InChIKeyUDTYEQLTFLTWLM-UHFFFAOYSA-N
XLogP2.18
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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 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
6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 86797287
methyl 6-(1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-methylpyridine-3-carboxylate
CID 133420760
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
methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate
CID 133419030
methyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate
CID 133420343
methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133448398
methyl 2-methyl-6-(3-methylmorpholin-4-yl)pyridine-3-carboxylate
CID 133418545
propan-2-yl 2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)pyridine-3-carboxylate
CID 75522944

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate (CID 133421229) is methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(N2CCC3OCCCC3C2)nc1C.
What is the InChIKey of methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate?
The InChIKey is UDTYEQLTFLTWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-13(16(19)20-2)5-6-15(17-11)18-8-7-14-12(10-18)4-3-9-21-14/h5-6,12,14H,3-4,7-10H2,1-2H3.
What are the key properties of methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate?
methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 133421229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).