(4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate

C18H19N3O4 — CID 37325010

IUPAC(4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate
SMILESCC(=O)Nc1ccc(OC(=O)c2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C18H19N3O4/c1-13(22)20-15-3-5-16(6-4-15)25-18(23)14-2-7-17(19-12-14)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyNMMUQTXFHJFSOC-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.10
Rot. Bonds4

About (4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate

(4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 37325010) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name(4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate
PubChem CID37325010
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate
SMILESCC(=O)Nc1ccc(OC(=O)c2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C18H19N3O4/c1-13(22)20-15-3-5-16(6-4-15)25-18(23)14-2-7-17(19-12-14)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyNMMUQTXFHJFSOC-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919
6-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109153445
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612
6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline
CID 158050226
[2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 24600768
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-[4-[3,5-dimethyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)pyrazol-4-yl]sulfanylphenyl]acetamide
CID 71812166
[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 16581154
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 86248826
2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 24590426

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of (4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate (CID 37325010) is (4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for (4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for (4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate is CC(=O)Nc1ccc(OC(=O)c2ccc(N3CCOCC3)nc2)cc1.
What is the InChIKey of (4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is NMMUQTXFHJFSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-13(22)20-15-3-5-16(6-4-15)25-18(23)14-2-7-17(19-12-14)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22).
What are the key properties of (4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate?
(4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 37325010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).