methyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate

C18H21N3O3 — CID 71453177

IUPACmethyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(NCc2ccccc2)nc(N2CCOCC2)c1
InChIInChI=1S/C18H21N3O3/c1-23-18(22)15-11-16(19-13-14-5-3-2-4-6-14)20-17(12-15)21-7-9-24-10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H,19,20)
InChIKeyUVHCZKGPWKCXLX-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.32
Rot. Bonds5

About methyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate

methyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate (PubChem CID 71453177) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate
PubChem CID71453177
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namemethyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(NCc2ccccc2)nc(N2CCOCC2)c1
InChIInChI=1S/C18H21N3O3/c1-23-18(22)15-11-16(19-13-14-5-3-2-4-6-14)20-17(12-15)21-7-9-24-10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H,19,20)
InChIKeyUVHCZKGPWKCXLX-UHFFFAOYSA-N
XLogP2.32
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate?
The IUPAC name of methyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate (CID 71453177) is methyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate is COC(=O)c1cc(NCc2ccccc2)nc(N2CCOCC2)c1.
What is the InChIKey of methyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate?
The InChIKey is UVHCZKGPWKCXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-18(22)15-11-16(19-13-14-5-3-2-4-6-14)20-17(12-15)21-7-9-24-10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H,19,20).
What are the key properties of methyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate?
methyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate is sourced from PubChem (CID 71453177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).