[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate

C20H21N3O6 — CID 46574851

IUPAC[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
SMILESCOc1ccc(C(=O)NC(=O)COC(=O)c2cccnc2N2CCOCC2)cc1
InChIInChI=1S/C20H21N3O6/c1-27-15-6-4-14(5-7-15)19(25)22-17(24)13-29-20(26)16-3-2-8-21-18(16)23-9-11-28-12-10-23/h2-8H,9-13H2,1H3,(H,22,24,25)
InChIKeySBQMEKWTFAQEMI-UHFFFAOYSA-N
MW399.40 g/mol
LogP1.04
Rot. Bonds6

About [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate

[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 46574851) has the molecular formula C20H21N3O6 and a molecular weight of 399.40 g/mol. Its IUPAC name is [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
PubChem CID46574851
Molecular FormulaC20H21N3O6
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
SMILESCOc1ccc(C(=O)NC(=O)COC(=O)c2cccnc2N2CCOCC2)cc1
InChIInChI=1S/C20H21N3O6/c1-27-15-6-4-14(5-7-15)19(25)22-17(24)13-29-20(26)16-3-2-8-21-18(16)23-9-11-28-12-10-23/h2-8H,9-13H2,1H3,(H,22,24,25)
InChIKeySBQMEKWTFAQEMI-UHFFFAOYSA-N
XLogP1.04
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-[(4-methoxybenzoyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527597
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 9381121
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 27045332
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313560
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 51210361
[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 35188829
(2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate
CID 7998156
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743673
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 55436056
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 16530725

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate (CID 46574851) is [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate is COc1ccc(C(=O)NC(=O)COC(=O)c2cccnc2N2CCOCC2)cc1.
What is the InChIKey of [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is SBQMEKWTFAQEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6/c1-27-15-6-4-14(5-7-15)19(25)22-17(24)13-29-20(26)16-3-2-8-21-18(16)23-9-11-28-12-10-23/h2-8H,9-13H2,1H3,(H,22,24,25).
What are the key properties of [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate?
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 399.40 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 46574851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).