2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide

C20H23BrN4O4 — CID 55403134

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C20H23BrN4O4/c1-23(20(28)14-25-12-15(21)2-7-19(25)27)13-18(26)22-16-3-5-17(6-4-16)24-8-10-29-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,22,26)
InChIKeyBOBHUDLIKZLHOM-UHFFFAOYSA-N
MW463.33 g/mol
LogP1.54
Rot. Bonds6

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide (PubChem CID 55403134) has the molecular formula C20H23BrN4O4 and a molecular weight of 463.33 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
PubChem CID55403134
Molecular FormulaC20H23BrN4O4
Molecular Weight463.33 g/mol
Exact Mass462.09
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C20H23BrN4O4/c1-23(20(28)14-25-12-15(21)2-7-19(25)27)13-18(26)22-16-3-5-17(6-4-16)24-8-10-29-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,22,26)
InChIKeyBOBHUDLIKZLHOM-UHFFFAOYSA-N
XLogP1.54
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9303861
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 27850751
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55328599
N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 71944686
methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate
CID 43406961
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820757
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 9409582

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide (CID 55403134) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide?
The InChIKey is BOBHUDLIKZLHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O4/c1-23(20(28)14-25-12-15(21)2-7-19(25)27)13-18(26)22-16-3-5-17(6-4-16)24-8-10-29-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,22,26).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide has a molecular weight of 463.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 55403134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).