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

C14H13ClN2O4 — CID 71923919

IUPACethyl 5-[[(3-chloropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2ccncc2Cl)o1
InChIInChI=1S/C14H13ClN2O4/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)
InChIKeyIEBKSFLEEPYNCR-UHFFFAOYSA-N
MW308.72 g/mol
LogP2.43
Rot. Bonds5

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

ethyl 5-[[(3-chloropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate (PubChem CID 71923919) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is ethyl 5-[[(3-chloropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(3-chloropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate
PubChem CID71923919
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Nameethyl 5-[[(3-chloropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2ccncc2Cl)o1
InChIInChI=1S/C14H13ClN2O4/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)
InChIKeyIEBKSFLEEPYNCR-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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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(3-chloropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[(3-chloropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate (CID 71923919) is ethyl 5-[[(3-chloropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[(3-chloropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[(3-chloropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CNC(=O)c2ccncc2Cl)o1.
What is the InChIKey of ethyl 5-[[(3-chloropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate?
The InChIKey is IEBKSFLEEPYNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/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-chloropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate?
ethyl 5-[[(3-chloropyridine-4-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-[[(3-chloropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 71923919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).