5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one

C14H15BrN4O2 — CID 58043923

IUPAC5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one
SMILESCn1cc(Br)cc(Nc2ccc(N3CC(O)C3)cn2)c1=O
InChIInChI=1S/C14H15BrN4O2/c1-18-6-9(15)4-12(14(18)21)17-13-3-2-10(5-16-13)19-7-11(20)8-19/h2-6,11,20H,7-8H2,1H3,(H,16,17)
InChIKeyFYCIGVFRSRIRMQ-UHFFFAOYSA-N
MW351.20 g/mol
LogP1.47
Rot. Bonds3

About 5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one

5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one (PubChem CID 58043923) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one
PubChem CID58043923
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one
SMILESCn1cc(Br)cc(Nc2ccc(N3CC(O)C3)cn2)c1=O
InChIInChI=1S/C14H15BrN4O2/c1-18-6-9(15)4-12(14(18)21)17-13-3-2-10(5-16-13)19-7-11(20)8-19/h2-6,11,20H,7-8H2,1H3,(H,16,17)
InChIKeyFYCIGVFRSRIRMQ-UHFFFAOYSA-N
XLogP1.47
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-1-methyl-3-[[5-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one
CID 86683713
tert-butyl (3S,5S)-4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3,5-dimethylpiperazine-1-carboxylate
CID 166007545
4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3-oxopiperazine-1-carboxylic acid
CID 67016194
tert-butyl (2R,5S)-4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-2,5-dimethylpiperazine-1-carboxylate
CID 86684214
5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one;sulfane
CID 165088577
N-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide
CID 59473804
5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one
CID 163782841
2-[3-[5-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 118910860
3-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 58043951
5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 160688493
CID 89029747
CID 89029747
5-(dihydroxyamino)-3-[[5-[(2S,5R)-2,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one
CID 167345462

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one?
The IUPAC name of 5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one (CID 58043923) is 5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one?
The canonical SMILES for 5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one is Cn1cc(Br)cc(Nc2ccc(N3CC(O)C3)cn2)c1=O.
What is the InChIKey of 5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one?
The InChIKey is FYCIGVFRSRIRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-18-6-9(15)4-12(14(18)21)17-13-3-2-10(5-16-13)19-7-11(20)8-19/h2-6,11,20H,7-8H2,1H3,(H,16,17).
What are the key properties of 5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one?
5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one has a molecular weight of 351.20 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-1-methylpyridin-2-one is sourced from PubChem (CID 58043923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).