methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate

C15H18N2O3 — CID 81401586

IUPACmethyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN[C@H](C)c2ccccn2)oc1C
InChIInChI=1S/C15H18N2O3/c1-10(14-6-4-5-7-16-14)17-9-12-8-13(11(2)20-12)15(18)19-3/h4-8,10,17H,9H2,1-3H3/t10-/m1/s1
InChIKeyJQCFHAFSNHUSCB-SNVBAGLBSA-N
MW274.32 g/mol
LogP2.62
Rot. Bonds5

About methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate (PubChem CID 81401586) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate
PubChem CID81401586
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN[C@H](C)c2ccccn2)oc1C
InChIInChI=1S/C15H18N2O3/c1-10(14-6-4-5-7-16-14)17-9-12-8-13(11(2)20-12)15(18)19-3/h4-8,10,17H,9H2,1-3H3/t10-/m1/s1
InChIKeyJQCFHAFSNHUSCB-SNVBAGLBSA-N
XLogP2.62
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-2-methylfuran-3-carboxylate
CID 114985528
methyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 115904944
methyl 5-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81347530
methyl 5-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81357144
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 75483063
methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 43231961
methyl 3-bromo-4-[(1-pyridin-2-ylethylamino)methyl]benzoate
CID 102766516
methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 60761601
methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate
CID 43222319
methyl 5-[(1-cyclobutylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 115908711
methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate
CID 51081982

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate (CID 81401586) is methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CN[C@H](C)c2ccccn2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate?
The InChIKey is JQCFHAFSNHUSCB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(14-6-4-5-7-16-14)17-9-12-8-13(11(2)20-12)15(18)19-3/h4-8,10,17H,9H2,1-3H3/t10-/m1/s1.
What are the key properties of methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 81401586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).