ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate

C14H13FN2O4 — CID 71976284

IUPACethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2ccncc2F)o1
InChIInChI=1S/C14H13FN2O4/c1-2-20-14(19)12-4-3-9(21-12)7-17-13(18)10-5-6-16-8-11(10)15/h3-6,8H,2,7H2,1H3,(H,17,18)
InChIKeyFIYZJXKOGQHTGP-UHFFFAOYSA-N
MW292.27 g/mol
LogP1.92
Rot. Bonds5

About ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate

ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate (PubChem CID 71976284) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate
PubChem CID71976284
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Nameethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2ccncc2F)o1
InChIInChI=1S/C14H13FN2O4/c1-2-20-14(19)12-4-3-9(21-12)7-17-13(18)10-5-6-16-8-11(10)15/h3-6,8H,2,7H2,1H3,(H,17,18)
InChIKeyFIYZJXKOGQHTGP-UHFFFAOYSA-N
XLogP1.92
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71923929
ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 84586320
ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976281
ethyl 5-[(2-methylpropanoylamino)methyl]furan-2-carboxylate
CID 71976282
3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 104600458
ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71860945
3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 113241006
3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
CID 115645741
ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate
CID 71976298
3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
CID 105066572
ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate
CID 115904417
ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate
CID 10379013

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate (CID 71976284) is ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CNC(=O)c2ccncc2F)o1.
What is the InChIKey of ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate?
The InChIKey is FIYZJXKOGQHTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-2-20-14(19)12-4-3-9(21-12)7-17-13(18)10-5-6-16-8-11(10)15/h3-6,8H,2,7H2,1H3,(H,17,18).
What are the key properties of ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate?
ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate has a molecular weight of 292.27 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 71976284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).