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

C19H20ClN3O4 — CID 27045332

IUPAC[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2cccnc2N2CCOCC2)c(Cl)c1
InChIInChI=1S/C19H20ClN3O4/c1-13-4-5-16(15(20)11-13)22-17(24)12-27-19(25)14-3-2-6-21-18(14)23-7-9-26-10-8-23/h2-6,11H,7-10,12H2,1H3,(H,22,24)
InChIKeyAIDDROSMKVLILA-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.68
Rot. Bonds5

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

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 27045332) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
PubChem CID27045332
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2cccnc2N2CCOCC2)c(Cl)c1
InChIInChI=1S/C19H20ClN3O4/c1-13-4-5-16(15(20)11-13)22-17(24)12-27-19(25)14-3-2-6-21-18(14)23-7-9-26-10-8-23/h2-6,11H,7-10,12H2,1H3,(H,22,24)
InChIKeyAIDDROSMKVLILA-UHFFFAOYSA-N
XLogP2.68
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 27045311
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 17419831
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 7758284
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 35188399
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 9381121
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 3259805
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 46574851
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131031
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 4637199
(7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate
CID 27045422
[2-(2-chloro-4-methylanilino)-2-oxoethyl] isoquinoline-1-carboxylate
CID 71823431
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816055

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate (CID 27045332) is [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate is Cc1ccc(NC(=O)COC(=O)c2cccnc2N2CCOCC2)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is AIDDROSMKVLILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-13-4-5-16(15(20)11-13)22-17(24)12-27-19(25)14-3-2-6-21-18(14)23-7-9-26-10-8-23/h2-6,11H,7-10,12H2,1H3,(H,22,24).
What are the key properties of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 389.84 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 27045332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).