methyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate

C16H18Cl2N2O4 — CID 71911813

IUPACmethyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC(C)(C)COc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O4/c1-16(2,9-24-14-12(18)6-11(17)8-19-14)20-7-10-4-5-23-13(10)15(21)22-3/h4-6,8,20H,7,9H2,1-3H3
InChIKeyRVKCBTFXJQFORA-UHFFFAOYSA-N
MW373.24 g/mol
LogP3.72
Rot. Bonds7

About methyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate

methyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate (PubChem CID 71911813) has the molecular formula C16H18Cl2N2O4 and a molecular weight of 373.24 g/mol. Its IUPAC name is methyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate
PubChem CID71911813
Molecular FormulaC16H18Cl2N2O4
Molecular Weight373.24 g/mol
Exact Mass372.06
IUPAC Namemethyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC(C)(C)COc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O4/c1-16(2,9-24-14-12(18)6-11(17)8-19-14)20-7-10-4-5-23-13(10)15(21)22-3/h4-6,8,20H,7,9H2,1-3H3
InChIKeyRVKCBTFXJQFORA-UHFFFAOYSA-N
XLogP3.72
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate (CID 71911813) is methyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNC(C)(C)COc1ncc(Cl)cc1Cl.
What is the InChIKey of methyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate?
The InChIKey is RVKCBTFXJQFORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O4/c1-16(2,9-24-14-12(18)6-11(17)8-19-14)20-7-10-4-5-23-13(10)15(21)22-3/h4-6,8,20H,7,9H2,1-3H3.
What are the key properties of methyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate?
methyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate has a molecular weight of 373.24 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 71911813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).