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

C14H12ClN3O5 — CID 2546642

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1ccco1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H12ClN3O5/c15-9-3-4-11(16-6-9)18-12(19)8-23-13(20)7-17-14(21)10-2-1-5-22-10/h1-6H,7-8H2,(H,17,21)(H,16,18,19)
InChIKeyAISFLIZIYZNEAT-UHFFFAOYSA-N
MW337.72 g/mol
LogP1.24
Rot. Bonds6

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

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 2546642) has the molecular formula C14H12ClN3O5 and a molecular weight of 337.72 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
PubChem CID2546642
Molecular FormulaC14H12ClN3O5
Molecular Weight337.72 g/mol
Exact Mass337.05
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1ccco1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H12ClN3O5/c15-9-3-4-11(16-6-9)18-12(19)8-23-13(20)7-17-14(21)10-2-1-5-22-10/h1-6H,7-8H2,(H,17,21)(H,16,18,19)
InChIKeyAISFLIZIYZNEAT-UHFFFAOYSA-N
XLogP1.24
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.72
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
Furan-2-carboxylic acid (6-butyrylamino-4-methyl-pyridin-3-yl)-amide
CID 1452773
N-[5-[(2,2-dimethyl-1-oxopropyl)amino]-2-pyridinyl]-2-furancarboxamide
CID 1452801
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2096277
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2362869
2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl 2-furoate
CID 2586389
N-[6-(pentanoylamino)pyridin-3-yl]furan-2-carboxamide
CID 3213149
[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-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 24251169
N-(5-chloro-2-pyridinyl)-5-[(2,2,3,3-tetrafluoropropoxy)methyl]-2-furamide
CID 1091771

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (CID 2546642) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is O=C(COC(=O)CNC(=O)c1ccco1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is AISFLIZIYZNEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O5/c15-9-3-4-11(16-6-9)18-12(19)8-23-13(20)7-17-14(21)10-2-1-5-22-10/h1-6H,7-8H2,(H,17,21)(H,16,18,19).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 337.72 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 2546642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).