[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate

C18H18ClN3O4 — CID 2417505

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(Cl)nc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H18ClN3O4/c19-16-6-1-13(11-20-16)18(24)26-12-17(23)21-14-2-4-15(5-3-14)22-7-9-25-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyMZVDYYSYEHKGTP-UHFFFAOYSA-N
MW375.81 g/mol
LogP2.37
Rot. Bonds5

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate (PubChem CID 2417505) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
PubChem CID2417505
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(Cl)nc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H18ClN3O4/c19-16-6-1-13(11-20-16)18(24)26-12-17(23)21-14-2-4-15(5-3-14)22-7-9-25-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyMZVDYYSYEHKGTP-UHFFFAOYSA-N
XLogP2.37
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-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

6-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)nicotinamide
CID 11539245
Ethyl 2-morpholin-4-yl-5-(3-pyridylcarbonylamino)benzoate
CID 3162289
[2-(4-Methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 847689
{[(4-Fluorophenyl)methyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
CID 2099259
2-(4-Methylpiperidin-1-yl)-2-oxoethyl 6-chloropyridine-3-carboxylate
CID 2355374
[Phenyl(propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 2371306
{[2-(Difluoromethoxy)phenyl]carbamoyl}methyl 6-chloropyridine-3-carboxylate
CID 2395390
Methyl 2-[2-(6-chloropyridine-3-carbonyloxy)acetamido]acetate
CID 2423776
[(4-Cyanophenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 2428126
[2-(2,5-Dimethylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
CID 2429249
[2-(Tert-butylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2432404
[2-[Di(propan-2-yl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2436130

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate (CID 2417505) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate is O=C(COC(=O)c1ccc(Cl)nc1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The InChIKey is MZVDYYSYEHKGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c19-16-6-1-13(11-20-16)18(24)26-12-17(23)21-14-2-4-15(5-3-14)22-7-9-25-10-8-22/h1-6,11H,7-10,12H2,(H,21,23).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate has a molecular weight of 375.81 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate is sourced from PubChem (CID 2417505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).