N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide

C11H14BrN3O2 — CID 100666015

IUPACN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cc(Br)cn(C)c2=O)C1
InChIInChI=1S/C11H14BrN3O2/c1-7-4-15(5-7)11(17)13-9-3-8(12)6-14(2)10(9)16/h3,6-7H,4-5H2,1-2H3,(H,13,17)
InChIKeyIPHTVVXHCFMUPA-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.63
Rot. Bonds1

About N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide

N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide (PubChem CID 100666015) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide
PubChem CID100666015
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC NameN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cc(Br)cn(C)c2=O)C1
InChIInChI=1S/C11H14BrN3O2/c1-7-4-15(5-7)11(17)13-9-3-8(12)6-14(2)10(9)16/h3,6-7H,4-5H2,1-2H3,(H,13,17)
InChIKeyIPHTVVXHCFMUPA-UHFFFAOYSA-N
XLogP1.63
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102538
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 71860164
4-bromo-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 79181856
(3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 51945173
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95974856
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111926870
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926883
5-bromo-2-[(3-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 62074012
5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one
CID 58043923
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111926873
5-bromo-1-methyl-3-[[5-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one
CID 86683713
(3R,5S)-3,5-dimethyl-N-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 42551679

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide?
The IUPAC name of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide (CID 100666015) is N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide.
What is the SMILES notation for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide?
The canonical SMILES for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide is CC1CN(C(=O)Nc2cc(Br)cn(C)c2=O)C1.
What is the InChIKey of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide?
The InChIKey is IPHTVVXHCFMUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-7-4-15(5-7)11(17)13-9-3-8(12)6-14(2)10(9)16/h3,6-7H,4-5H2,1-2H3,(H,13,17).
What are the key properties of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide?
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide has a molecular weight of 300.16 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide is sourced from PubChem (CID 100666015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).