ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate

C14H13ClN2O4 — CID 84586320

IUPACethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2ccc(Cl)cn2)o1
InChIInChI=1S/C14H13ClN2O4/c1-2-20-14(19)12-6-4-10(21-12)8-17-13(18)11-5-3-9(15)7-16-11/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyNBXUVQAQRYFTDB-UHFFFAOYSA-N
MW308.72 g/mol
LogP2.43
Rot. Bonds5

About ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate

ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate (PubChem CID 84586320) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate
PubChem CID84586320
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Nameethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2ccc(Cl)cn2)o1
InChIInChI=1S/C14H13ClN2O4/c1-2-20-14(19)12-6-4-10(21-12)8-17-13(18)11-5-3-9(15)7-16-11/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyNBXUVQAQRYFTDB-UHFFFAOYSA-N
XLogP2.43
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71860945
ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976284
ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976281
ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71923929
ethyl 5-[(2-methylpropanoylamino)methyl]furan-2-carboxylate
CID 71976282
ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate
CID 71976298
ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate
CID 10379013
5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide
CID 107231717
ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate
CID 115904417
ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate
CID 42169756
5-carbamothioyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 63749387
ethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate
CID 31106251

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate (CID 84586320) is ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CNC(=O)c2ccc(Cl)cn2)o1.
What is the InChIKey of ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate?
The InChIKey is NBXUVQAQRYFTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-2-20-14(19)12-6-4-10(21-12)8-17-13(18)11-5-3-9(15)7-16-11/h3-7H,2,8H2,1H3,(H,17,18).
What are the key properties of ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate?
ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate has a molecular weight of 308.72 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 84586320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).