methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate

C15H18N2O3 — CID 60902691

IUPACmethyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNCCc2ccncc2)oc1C
InChIInChI=1S/C15H18N2O3/c1-11-14(15(18)19-2)9-13(20-11)10-17-8-5-12-3-6-16-7-4-12/h3-4,6-7,9,17H,5,8,10H2,1-2H3
InChIKeyDGGAOVWOOJVZBH-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.10
Rot. Bonds6

About methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate

methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate (PubChem CID 60902691) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate
PubChem CID60902691
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNCCc2ccncc2)oc1C
InChIInChI=1S/C15H18N2O3/c1-11-14(15(18)19-2)9-13(20-11)10-17-8-5-12-3-6-16-7-4-12/h3-4,6-7,9,17H,5,8,10H2,1-2H3
InChIKeyDGGAOVWOOJVZBH-UHFFFAOYSA-N
XLogP2.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 43219136
3-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylamino]propanoic acid
CID 43774846
methyl 5-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 103626098
methyl 2-methyl-5-[[[(E)-pent-3-enyl]amino]methyl]furan-3-carboxylate
CID 115907444
methyl 2-methyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-3-carboxylate
CID 55026629
methyl 5-[[2-(azepan-1-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 60752171
methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 60761601
methyl 5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 103923948
methyl 2-methyl-5-[(pent-4-ynylamino)methyl]furan-3-carboxylate
CID 103923406
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 4-[(2-pyridin-4-ylethylamino)methyl]benzoate
CID 60649467
methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 60649742

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate (CID 60902691) is methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate is COC(=O)c1cc(CNCCc2ccncc2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate?
The InChIKey is DGGAOVWOOJVZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-14(15(18)19-2)9-13(20-11)10-17-8-5-12-3-6-16-7-4-12/h3-4,6-7,9,17H,5,8,10H2,1-2H3.
What are the key properties of methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate?
methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate is sourced from PubChem (CID 60902691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).