[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate

C20H22ClN3O5 — CID 27045311

IUPAC[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cccnc1N1CCOCC1
InChIInChI=1S/C20H22ClN3O5/c1-13-10-16(17(27-2)11-15(13)21)23-18(25)12-29-20(26)14-4-3-5-22-19(14)24-6-8-28-9-7-24/h3-5,10-11H,6-9,12H2,1-2H3,(H,23,25)
InChIKeyPFGBQPBZHXZYEZ-UHFFFAOYSA-N
MW419.87 g/mol
LogP2.68
Rot. Bonds6

About [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate

[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 27045311) has the molecular formula C20H22ClN3O5 and a molecular weight of 419.87 g/mol. Its IUPAC name is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
PubChem CID27045311
Molecular FormulaC20H22ClN3O5
Molecular Weight419.87 g/mol
Exact Mass419.12
IUPAC Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cccnc1N1CCOCC1
InChIInChI=1S/C20H22ClN3O5/c1-13-10-16(17(27-2)11-15(13)21)23-18(25)12-29-20(26)14-4-3-5-22-19(14)24-6-8-28-9-7-24/h3-5,10-11H,6-9,12H2,1-2H3,(H,23,25)
InChIKeyPFGBQPBZHXZYEZ-UHFFFAOYSA-N
XLogP2.68
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 27045332
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23773445
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 46574851
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 17419831
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 3259805
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-nitrobenzoate
CID 2619519
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527534
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-ethylsulfinylbenzoate
CID 7801501
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 9381121
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 35188399
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate
CID 35777374
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854133

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate (CID 27045311) is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate is COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cccnc1N1CCOCC1.
What is the InChIKey of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is PFGBQPBZHXZYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O5/c1-13-10-16(17(27-2)11-15(13)21)23-18(25)12-29-20(26)14-4-3-5-22-19(14)24-6-8-28-9-7-24/h3-5,10-11H,6-9,12H2,1-2H3,(H,23,25).
What are the key properties of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 419.87 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 27045311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).