methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate

C18H22N2O3S — CID 46997202

IUPACmethyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN(Cc2ccsc2)CC2CCCO2)n1
InChIInChI=1S/C18H22N2O3S/c1-22-18(21)17-6-2-4-15(19-17)11-20(10-14-7-9-24-13-14)12-16-5-3-8-23-16/h2,4,6-7,9,13,16H,3,5,8,10-12H2,1H3
InChIKeyVPPXNJCKBDDUDC-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.11
Rot. Bonds7

About methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate

methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate (PubChem CID 46997202) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate
PubChem CID46997202
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Namemethyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN(Cc2ccsc2)CC2CCCO2)n1
InChIInChI=1S/C18H22N2O3S/c1-22-18(21)17-6-2-4-15(19-17)11-20(10-14-7-9-24-13-14)12-16-5-3-8-23-16/h2,4,6-7,9,13,16H,3,5,8,10-12H2,1H3
InChIKeyVPPXNJCKBDDUDC-UHFFFAOYSA-N
XLogP3.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol
CID 93166076
N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 124749223
N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95146887
methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 95281906
6-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide
CID 50981472
6-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]pyridin-2-amine
CID 99800051
(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 93147229
methyl 4-[[(4-cyanophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 23964815
1-[[(2S)-oxolan-2-yl]methyl]-3-(2-pyridin-4-ylethyl)-1-(thiophen-3-ylmethyl)urea
CID 126450055
3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
CID 126453947
3-(2-ethylsulfanylphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
CID 97436140
N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
CID 56912083

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate (CID 46997202) is methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN(Cc2ccsc2)CC2CCCO2)n1.
What is the InChIKey of methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate?
The InChIKey is VPPXNJCKBDDUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-22-18(21)17-6-2-4-15(19-17)11-20(10-14-7-9-24-13-14)12-16-5-3-8-23-16/h2,4,6-7,9,13,16H,3,5,8,10-12H2,1H3.
What are the key properties of methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate?
methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate has a molecular weight of 346.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 46997202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).