[2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate

C25H23N3O5 — CID 24600768

IUPAC[2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23N3O5/c29-22(18-6-9-21(10-7-18)27-24(30)19-4-2-1-3-5-19)17-33-25(31)20-8-11-23(26-16-20)28-12-14-32-15-13-28/h1-11,16H,12-15,17H2,(H,27,30)
InChIKeyKXBYIJNXRPGMPC-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.21
Rot. Bonds7

About [2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate

[2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 24600768) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is [2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
PubChem CID24600768
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name[2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23N3O5/c29-22(18-6-9-21(10-7-18)27-24(30)19-4-2-1-3-5-19)17-33-25(31)20-8-11-23(26-16-20)28-12-14-32-15-13-28/h1-11,16H,12-15,17H2,(H,27,30)
InChIKeyKXBYIJNXRPGMPC-UHFFFAOYSA-N
XLogP3.21
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109153445
[2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 24590694
[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 16581154
[2-(4-benzamidophenyl)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644829
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919
N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 86248826
6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline
CID 158050226
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
(4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate
CID 37325010
3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride
CID 119839707
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 18140190

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate (CID 24600768) is [2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate is O=C(COC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is KXBYIJNXRPGMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c29-22(18-6-9-21(10-7-18)27-24(30)19-4-2-1-3-5-19)17-33-25(31)20-8-11-23(26-16-20)28-12-14-32-15-13-28/h1-11,16H,12-15,17H2,(H,27,30).
What are the key properties of [2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
[2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 445.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 24600768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).