5-bromo-N-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide

C19H22BrN3O3 — CID 126675206

IUPAC5-bromo-N-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(Br)cn(Cc2cccc(CN3CCOCC3)c2)c1=O
InChIInChI=1S/C19H22BrN3O3/c1-21-18(24)17-10-16(20)13-23(19(17)25)12-15-4-2-3-14(9-15)11-22-5-7-26-8-6-22/h2-4,9-10,13H,5-8,11-12H2,1H3,(H,21,24)
InChIKeyCIDKOBFQAWPZEH-UHFFFAOYSA-N
MW420.31 g/mol
LogP1.85
Rot. Bonds5

About 5-bromo-N-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide

5-bromo-N-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 126675206) has the molecular formula C19H22BrN3O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is 5-bromo-N-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide
PubChem CID126675206
Molecular FormulaC19H22BrN3O3
Molecular Weight420.31 g/mol
Exact Mass419.08
IUPAC Name5-bromo-N-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(Br)cn(Cc2cccc(CN3CCOCC3)c2)c1=O
InChIInChI=1S/C19H22BrN3O3/c1-21-18(24)17-10-16(20)13-23(19(17)25)12-15-4-2-3-14(9-15)11-22-5-7-26-8-6-22/h2-4,9-10,13H,5-8,11-12H2,1H3,(H,21,24)
InChIKeyCIDKOBFQAWPZEH-UHFFFAOYSA-N
XLogP1.85
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid
CID 155789739
N-methyl-2-(morpholin-4-ylmethyl)benzamide
CID 83387497
methyl 1-benzyl-5-bromo-2-oxopyridine-3-carboxylate
CID 126648415
3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 145267575
5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 60557641
1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
CID 160654627
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55814512
1-benzyl-N-methyl-5-(methylaminomethyl)-2-oxopyridine-3-carboxamide
CID 126676383
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 1482990

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide (CID 126675206) is 5-bromo-N-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(Br)cn(Cc2cccc(CN3CCOCC3)c2)c1=O.
What is the InChIKey of 5-bromo-N-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is CIDKOBFQAWPZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O3/c1-21-18(24)17-10-16(20)13-23(19(17)25)12-15-4-2-3-14(9-15)11-22-5-7-26-8-6-22/h2-4,9-10,13H,5-8,11-12H2,1H3,(H,21,24).
What are the key properties of 5-bromo-N-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
5-bromo-N-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 420.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 126675206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).