methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate

C15H18N2O4 — CID 60761601

IUPACmethyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCc2cccnc2OC)oc1C
InChIInChI=1S/C15H18N2O4/c1-10-13(15(18)20-3)7-12(21-10)9-16-8-11-5-4-6-17-14(11)19-2/h4-7,16H,8-9H2,1-3H3
InChIKeyLVFNSZJCMOIQRA-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.07
Rot. Bonds6

About methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 60761601) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID60761601
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCc2cccnc2OC)oc1C
InChIInChI=1S/C15H18N2O4/c1-10-13(15(18)20-3)7-12(21-10)9-16-8-11-5-4-6-17-14(11)19-2/h4-7,16H,8-9H2,1-3H3
InChIKeyLVFNSZJCMOIQRA-UHFFFAOYSA-N
XLogP2.07
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate
CID 60902691
5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608623
methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 75483063
methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate
CID 55026629
methyl 5-[[(2,5-difluorophenyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 63794276
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 2098215
methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate
CID 81401586
1-(2-methoxy-3-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 114180399
1-(2-methoxy-3-pyridinyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 107914372
3-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 103230071
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate (CID 60761601) is methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNCc2cccnc2OC)oc1C.
What is the InChIKey of methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is LVFNSZJCMOIQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-13(15(18)20-3)7-12(21-10)9-16-8-11-5-4-6-17-14(11)19-2/h4-7,16H,8-9H2,1-3H3.
What are the key properties of methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 60761601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).