5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide

C12H13BrN4O2 — CID 75519066

IUPAC5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]cc(C(=O)NCc2ccnn2C)c(=O)c1Br
InChIInChI=1S/C12H13BrN4O2/c1-7-10(13)11(18)9(6-14-7)12(19)15-5-8-3-4-16-17(8)2/h3-4,6H,5H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyMJLHXXOCLAOIGM-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.11
Rot. Bonds3

About 5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide

5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 75519066) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID75519066
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]cc(C(=O)NCc2ccnn2C)c(=O)c1Br
InChIInChI=1S/C12H13BrN4O2/c1-7-10(13)11(18)9(6-14-7)12(19)15-5-8-3-4-16-17(8)2/h3-4,6H,5H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyMJLHXXOCLAOIGM-UHFFFAOYSA-N
XLogP1.11
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71891693
5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 86817235
N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 36302201
4-Bromo-5-[(2-methylpyrazol-3-yl)methylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114437838
4-Bromo-5-[(1-methylpyrazol-3-yl)methylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114440947
N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 154785076
N-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 36940544
N-(4-hydroxypyridin-3-yl)-N'-[2-(5-methyl-1H-pyrazol-1-yl)ethyl]ethanediamide
CID 51049306
2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302105
2-bromo-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302150
N-[(2-methylpyrazol-3-yl)methyl]-3-oxobutanamide
CID 63303333
6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 72049376

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide (CID 75519066) is 5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide is Cc1[nH]cc(C(=O)NCc2ccnn2C)c(=O)c1Br.
What is the InChIKey of 5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MJLHXXOCLAOIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-7-10(13)11(18)9(6-14-7)12(19)15-5-8-3-4-16-17(8)2/h3-4,6H,5H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of 5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 325.17 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75519066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).