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

C22H21N3O4 — CID 16581154

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(N2CCOCC2)nc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H21N3O4/c26-21(24-19-7-5-16-3-1-2-4-17(16)13-19)15-29-22(27)18-6-8-20(23-14-18)25-9-11-28-12-10-25/h1-8,13-14H,9-12,15H2,(H,24,26)
InChIKeyNEWKAXLHEZPUSG-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.87
Rot. Bonds5

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

[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 16581154) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
PubChem CID16581154
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(N2CCOCC2)nc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H21N3O4/c26-21(24-19-7-5-16-3-1-2-4-17(16)13-19)15-29-22(27)18-6-8-20(23-14-18)25-9-11-28-12-10-25/h1-8,13-14H,9-12,15H2,(H,24,26)
InChIKeyNEWKAXLHEZPUSG-UHFFFAOYSA-N
XLogP2.87
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
[2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 24600768
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 18140205
N-(6-morpholin-4-yl-3-pyridinyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 34442404
N-(6-morpholin-4-yl-3-pyridinyl)-2-(2-propoxyphenoxy)acetamide
CID 17458922
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 43037992
N-methyl-6-morpholin-4-yl-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide
CID 18133785
(4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate
CID 37325010
2-(4-cyanophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17457103
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
2-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 61329220
N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 86248826

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate (CID 16581154) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate is O=C(COC(=O)c1ccc(N2CCOCC2)nc1)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is NEWKAXLHEZPUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c26-21(24-19-7-5-16-3-1-2-4-17(16)13-19)15-29-22(27)18-6-8-20(23-14-18)25-9-11-28-12-10-25/h1-8,13-14H,9-12,15H2,(H,24,26).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 391.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 16581154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).