methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate

C23H23N3O3 — CID 175443444

IUPACmethyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)cnc2N)cc1
InChIInChI=1S/C23H23N3O3/c1-28-23(27)18-4-2-17(3-5-18)21-14-19(15-25-22(21)24)16-6-8-20(9-7-16)26-10-12-29-13-11-26/h2-9,14-15H,10-13H2,1H3,(H2,24,25)
InChIKeyYKOLIFZMYURTCY-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.62
Rot. Bonds4

About methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate

methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate (PubChem CID 175443444) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate
PubChem CID175443444
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Namemethyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)cnc2N)cc1
InChIInChI=1S/C23H23N3O3/c1-28-23(27)18-4-2-17(3-5-18)21-14-19(15-25-22(21)24)16-6-8-20(9-7-16)26-10-12-29-13-11-26/h2-9,14-15H,10-13H2,1H3,(H2,24,25)
InChIKeyYKOLIFZMYURTCY-UHFFFAOYSA-N
XLogP3.62
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[6-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251937
methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate
CID 82556066
methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate
CID 170556001
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
methyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112857139
methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate
CID 118045392
4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide
CID 73057746
methyl 4-[2-(hydroxymethyl)morpholin-4-yl]benzoate
CID 117008733
5-[2-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]isoindole-1,3-dione
CID 166093249
[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone
CID 146274494
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide
CID 90005107

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate?
The IUPAC name of methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate (CID 175443444) is methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate.
What is the SMILES notation for methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate?
The canonical SMILES for methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate is COC(=O)c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)cnc2N)cc1.
What is the InChIKey of methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate?
The InChIKey is YKOLIFZMYURTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-23(27)18-4-2-17(3-5-18)21-14-19(15-25-22(21)24)16-6-8-20(9-7-16)26-10-12-29-13-11-26/h2-9,14-15H,10-13H2,1H3,(H2,24,25).
What are the key properties of methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate?
methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate has a molecular weight of 389.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate is sourced from PubChem (CID 175443444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).