[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

C15H13Cl2N3O5 — CID 4782376

IUPAC[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESCc1nc(NC(=O)COC(=O)CNC(=O)c2ccco2)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O5/c1-8-9(16)5-10(17)14(19-8)20-12(21)7-25-13(22)6-18-15(23)11-3-2-4-24-11/h2-5H,6-7H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyWLKPORFQTWCAAF-UHFFFAOYSA-N
MW386.19 g/mol
LogP2.20
Rot. Bonds6

About [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 4782376) has the molecular formula C15H13Cl2N3O5 and a molecular weight of 386.19 g/mol. Its IUPAC name is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
PubChem CID4782376
Molecular FormulaC15H13Cl2N3O5
Molecular Weight386.19 g/mol
Exact Mass385.02
IUPAC Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESCc1nc(NC(=O)COC(=O)CNC(=O)c2ccco2)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O5/c1-8-9(16)5-10(17)14(19-8)20-12(21)7-25-13(22)6-18-15(23)11-3-2-4-24-11/h2-5H,6-7H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyWLKPORFQTWCAAF-UHFFFAOYSA-N
XLogP2.20
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.19
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (CID 4782376) is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is Cc1nc(NC(=O)COC(=O)CNC(=O)c2ccco2)c(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is WLKPORFQTWCAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O5/c1-8-9(16)5-10(17)14(19-8)20-12(21)7-25-13(22)6-18-15(23)11-3-2-4-24-11/h2-5H,6-7H2,1H3,(H,18,23)(H,19,20,21).
What are the key properties of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 386.19 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 4782376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).