methyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate

C18H19N3O4 — CID 6463987

IUPACmethyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccnc2)c1
InChIInChI=1S/C18H19N3O4/c1-24-18(23)13-4-5-16(21-7-9-25-10-8-21)15(11-13)20-17(22)14-3-2-6-19-12-14/h2-6,11-12H,7-10H2,1H3,(H,20,22)
InChIKeyBXMUBNKXCMCVBB-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.96
Rot. Bonds4

About methyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate

methyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate (PubChem CID 6463987) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate
PubChem CID6463987
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namemethyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccnc2)c1
InChIInChI=1S/C18H19N3O4/c1-24-18(23)13-4-5-16(21-7-9-25-10-8-21)15(11-13)20-17(22)14-3-2-6-19-12-14/h2-6,11-12H,7-10H2,1H3,(H,20,22)
InChIKeyBXMUBNKXCMCVBB-UHFFFAOYSA-N
XLogP1.96
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate?
The IUPAC name of methyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate (CID 6463987) is methyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate?
The canonical SMILES for methyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate is COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccnc2)c1.
What is the InChIKey of methyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate?
The InChIKey is BXMUBNKXCMCVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-18(23)13-4-5-16(21-7-9-25-10-8-21)15(11-13)20-17(22)14-3-2-6-19-12-14/h2-6,11-12H,7-10H2,1H3,(H,20,22).
What are the key properties of methyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate?
methyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate has a molecular weight of 341.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate is sourced from PubChem (CID 6463987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).