[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate

C13H11ClN2O4 — CID 3433652

IUPAC[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
SMILESCC(OC(=O)c1ccco1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H11ClN2O4/c1-8(20-13(18)10-3-2-6-19-10)12(17)16-11-5-4-9(14)7-15-11/h2-8H,1H3,(H,15,16,17)
InChIKeyKRBGXENCGFMIIR-UHFFFAOYSA-N
MW294.69 g/mol
LogP2.51
Rot. Bonds4

About [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate

[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate (PubChem CID 3433652) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
PubChem CID3433652
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
SMILESCC(OC(=O)c1ccco1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H11ClN2O4/c1-8(20-13(18)10-3-2-6-19-10)12(17)16-11-5-4-9(14)7-15-11/h2-8H,1H3,(H,15,16,17)
InChIKeyKRBGXENCGFMIIR-UHFFFAOYSA-N
XLogP2.51
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate with MolForge

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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
2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl 2-furoate
CID 2586389
[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
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
N-(5-methylpyridin-2-yl)furan-2-carboxamide
CID 835267

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate?
The IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate (CID 3433652) is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate?
The canonical SMILES for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate is CC(OC(=O)c1ccco1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate?
The InChIKey is KRBGXENCGFMIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-8(20-13(18)10-3-2-6-19-10)12(17)16-11-5-4-9(14)7-15-11/h2-8H,1H3,(H,15,16,17).
What are the key properties of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate?
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate has a molecular weight of 294.69 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate is sourced from PubChem (CID 3433652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).