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

C15H18N2O3 — CID 97328786

IUPACmethyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN(C)[C@H](C)c1cccnc1
InChIInChI=1S/C15H18N2O3/c1-11(12-5-4-7-16-9-12)17(2)10-13-6-8-20-14(13)15(18)19-3/h4-9,11H,10H2,1-3H3/t11-/m1/s1
InChIKeyDEEHHODBYOVSBJ-LLVKDONJSA-N
MW274.32 g/mol
LogP2.65
Rot. Bonds5

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

methyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate (PubChem CID 97328786) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate
PubChem CID97328786
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN(C)[C@H](C)c1cccnc1
InChIInChI=1S/C15H18N2O3/c1-11(12-5-4-7-16-9-12)17(2)10-13-6-8-20-14(13)15(18)19-3/h4-9,11H,10H2,1-3H3/t11-/m1/s1
InChIKeyDEEHHODBYOVSBJ-LLVKDONJSA-N
XLogP2.65
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 77080069
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 99820131
2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71906399
N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 95284652
methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate
CID 114699136
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97089206
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974
2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide
CID 77081738
2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 97328796
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 71908460
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
(1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine
CID 95119543

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate (CID 97328786) is methyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate is COC(=O)c1occc1CN(C)[C@H](C)c1cccnc1.
What is the InChIKey of methyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate?
The InChIKey is DEEHHODBYOVSBJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11(12-5-4-7-16-9-12)17(2)10-13-6-8-20-14(13)15(18)19-3/h4-9,11H,10H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate?
methyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 97328786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).