ethyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate

C19H21N3O4 — CID 3162289

IUPACethyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2cccnc2)ccc1N1CCOCC1
InChIInChI=1S/C19H21N3O4/c1-2-26-19(24)16-12-15(21-18(23)14-4-3-7-20-13-14)5-6-17(16)22-8-10-25-11-9-22/h3-7,12-13H,2,8-11H2,1H3,(H,21,23)
InChIKeyNGTOMAHPBCKXNQ-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.35
Rot. Bonds5

About ethyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate

ethyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate (PubChem CID 3162289) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is ethyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate
PubChem CID3162289
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Nameethyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2cccnc2)ccc1N1CCOCC1
InChIInChI=1S/C19H21N3O4/c1-2-26-19(24)16-12-15(21-18(23)14-4-3-7-20-13-14)5-6-17(16)22-8-10-25-11-9-22/h3-7,12-13H,2,8-11H2,1H3,(H,21,23)
InChIKeyNGTOMAHPBCKXNQ-UHFFFAOYSA-N
XLogP2.35
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate?
The IUPAC name of ethyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate (CID 3162289) is ethyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate.
What is the SMILES notation for ethyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate?
The canonical SMILES for ethyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate is CCOC(=O)c1cc(NC(=O)c2cccnc2)ccc1N1CCOCC1.
What is the InChIKey of ethyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate?
The InChIKey is NGTOMAHPBCKXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-2-26-19(24)16-12-15(21-18(23)14-4-3-7-20-13-14)5-6-17(16)22-8-10-25-11-9-22/h3-7,12-13H,2,8-11H2,1H3,(H,21,23).
What are the key properties of ethyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate?
ethyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate has a molecular weight of 355.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate is sourced from PubChem (CID 3162289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).