methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate

C16H18N2O5 — CID 86921232

IUPACmethyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCCOCc2ccco2)nc1
InChIInChI=1S/C16H18N2O5/c1-21-16(20)12-5-6-14(18-10-12)15(19)17-7-3-8-22-11-13-4-2-9-23-13/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,17,19)
InChIKeyHLEZGGMYLBQGFW-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.80
Rot. Bonds8

About methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate

methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate (PubChem CID 86921232) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate
PubChem CID86921232
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Namemethyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCCOCc2ccco2)nc1
InChIInChI=1S/C16H18N2O5/c1-21-16(20)12-5-6-14(18-10-12)15(19)17-7-3-8-22-11-13-4-2-9-23-13/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,17,19)
InChIKeyHLEZGGMYLBQGFW-UHFFFAOYSA-N
XLogP1.80
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate
CID 5009139
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996
N-[3-(furan-2-ylmethoxy)propyl]-6-methoxyquinoline-2-carboxamide
CID 78833071
6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide
CID 115497634
N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide
CID 86914792
methyl 4-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzoate
CID 111162239
2-(dimethylamino)-N-[3-(furan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 87038703
4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
CID 63213455
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate
CID 104585866
5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide
CID 75397489
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate (CID 86921232) is methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)NCCCOCc2ccco2)nc1.
What is the InChIKey of methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate?
The InChIKey is HLEZGGMYLBQGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-21-16(20)12-5-6-14(18-10-12)15(19)17-7-3-8-22-11-13-4-2-9-23-13/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,17,19).
What are the key properties of methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate?
methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate has a molecular weight of 318.33 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 86921232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).