[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] furan-2-carboxylate

C12H9ClN2O4 — CID 2586389

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H9ClN2O4/c13-8-3-4-10(14-6-8)15-11(16)7-19-12(17)9-2-1-5-18-9/h1-6H,7H2,(H,14,15,16)
InChIKeyDKBKUTMJYOCKPS-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.12
Rot. Bonds4

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] furan-2-carboxylate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] furan-2-carboxylate (PubChem CID 2586389) has the molecular formula C12H9ClN2O4 and a molecular weight of 280.67 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] furan-2-carboxylate
PubChem CID2586389
Molecular FormulaC12H9ClN2O4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H9ClN2O4/c13-8-3-4-10(14-6-8)15-11(16)7-19-12(17)9-2-1-5-18-9/h1-6H,7H2,(H,14,15,16)
InChIKeyDKBKUTMJYOCKPS-UHFFFAOYSA-N
XLogP2.12
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 5058874
5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)-2-furamide
CID 725940
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2096277
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 2129011
[1-[(5-Chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 3433652
[1-[(3,5-Dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 16303347
N-(5-chloro-2-pyridinyl)-5-[(2,2,3,3-tetrafluoropropoxy)methyl]-2-furamide
CID 1091771
5-[(2-chlorophenoxy)methyl]-N-(2-pyridinyl)-2-furamide
CID 1225502
5-[(2-bromophenoxy)methyl]-N-(5-chloropyridin-2-yl)furan-2-carboxamide
CID 1269634
3-Furan-2-yl-N-pyridin-2-yl-acrylamide
CID 839823
N-(3-methylpyridin-2-yl)furan-2-carboxamide
CID 3602278
5-chloro-N-(4-methylpyridin-2-yl)furan-2-carboxamide
CID 30138657

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] furan-2-carboxylate (CID 2586389) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is DKBKUTMJYOCKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4/c13-8-3-4-10(14-6-8)15-11(16)7-19-12(17)9-2-1-5-18-9/h1-6H,7H2,(H,14,15,16).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] furan-2-carboxylate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 280.67 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 2586389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).