5-bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one

C13H17BrN4O — CID 138018622

IUPAC5-bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one
SMILESCC(C)n1cc(CNc2cc(Br)cn(C)c2=O)cn1
InChIInChI=1S/C13H17BrN4O/c1-9(2)18-7-10(6-16-18)5-15-12-4-11(14)8-17(3)13(12)19/h4,6-9,15H,5H2,1-3H3
InChIKeyUIVDBANNNDENTC-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.54
Rot. Bonds4

About 5-bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one

5-bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one (PubChem CID 138018622) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one
PubChem CID138018622
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name5-bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one
SMILESCC(C)n1cc(CNc2cc(Br)cn(C)c2=O)cn1
InChIInChI=1S/C13H17BrN4O/c1-9(2)18-7-10(6-16-18)5-15-12-4-11(14)8-17(3)13(12)19/h4,6-9,15H,5H2,1-3H3
InChIKeyUIVDBANNNDENTC-UHFFFAOYSA-N
XLogP2.54
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 71878621
2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 45814898
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
CID 51079623
5-Fluoro-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449046
5-Fluoro-3-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one
CID 139401779
3-(Ethylamino)-5-fluoro-1-(1-methylpyrazol-4-yl)pyridin-2-one
CID 142523759
5-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one
CID 172713031
3-[(1-Tert-butylpyrazol-4-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 167824124
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1,6-dihydropyridine-2-carboxamide
CID 50961056
5-(4-methylpyrazol-1-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 132041767
3-Methyl-5-(methylamino)-1-(1-methylpyrazol-4-yl)pyridin-2-one
CID 137449407
5-Methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449606

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one?
The IUPAC name of 5-bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one (CID 138018622) is 5-bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one is CC(C)n1cc(CNc2cc(Br)cn(C)c2=O)cn1.
What is the InChIKey of 5-bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one?
The InChIKey is UIVDBANNNDENTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-9(2)18-7-10(6-16-18)5-15-12-4-11(14)8-17(3)13(12)19/h4,6-9,15H,5H2,1-3H3.
What are the key properties of 5-bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one?
5-bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one has a molecular weight of 325.21 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one is sourced from PubChem (CID 138018622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).