[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate

C20H21Cl2N3O4 — CID 35188399

IUPAC[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cccnc1N1CCOCC1
InChIInChI=1S/C20H21Cl2N3O4/c1-24(12-14-4-5-16(21)17(22)11-14)18(26)13-29-20(27)15-3-2-6-23-19(15)25-7-9-28-10-8-25/h2-6,11H,7-10,12-13H2,1H3
InChIKeyOJEATEFLJBXBQX-UHFFFAOYSA-N
MW438.31 g/mol
LogP3.04
Rot. Bonds6

About [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate

[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 35188399) has the molecular formula C20H21Cl2N3O4 and a molecular weight of 438.31 g/mol. Its IUPAC name is [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
PubChem CID35188399
Molecular FormulaC20H21Cl2N3O4
Molecular Weight438.31 g/mol
Exact Mass437.09
IUPAC Name[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cccnc1N1CCOCC1
InChIInChI=1S/C20H21Cl2N3O4/c1-24(12-14-4-5-16(21)17(22)11-14)18(26)13-29-20(27)15-3-2-6-23-19(15)25-7-9-28-10-8-25/h2-6,11H,7-10,12-13H2,1H3
InChIKeyOJEATEFLJBXBQX-UHFFFAOYSA-N
XLogP3.04
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 9343700
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 18157997
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 35611700
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 9289386
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 27045332
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 27045311
N-methyl-2-morpholin-4-yl-N-[(4-phenylphenyl)methyl]pyridine-3-carboxamide
CID 46591412
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 134013173
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 34700977
4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 55826912
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 27867956
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 55397064

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate (CID 35188399) is [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cccnc1N1CCOCC1.
What is the InChIKey of [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is OJEATEFLJBXBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O4/c1-24(12-14-4-5-16(21)17(22)11-14)18(26)13-29-20(27)15-3-2-6-23-19(15)25-7-9-28-10-8-25/h2-6,11H,7-10,12-13H2,1H3.
What are the key properties of [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 438.31 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 35188399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).