1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

C11H15BrN4O2 — CID 133302913

IUPAC1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCn1ncc(N2CCCC(C(N)=O)C2)c(Br)c1=O
InChIInChI=1S/C11H15BrN4O2/c1-15-11(18)9(12)8(5-14-15)16-4-2-3-7(6-16)10(13)17/h5,7H,2-4,6H2,1H3,(H2,13,17)
InChIKeyXATJEUYBRGKLLS-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.24
Rot. Bonds2

About 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 133302913) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
PubChem CID133302913
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC Name1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCn1ncc(N2CCCC(C(N)=O)C2)c(Br)c1=O
InChIInChI=1S/C11H15BrN4O2/c1-15-11(18)9(12)8(5-14-15)16-4-2-3-7(6-16)10(13)17/h5,7H,2-4,6H2,1H3,(H2,13,17)
InChIKeyXATJEUYBRGKLLS-UHFFFAOYSA-N
XLogP0.24
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3S)-1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxylate
CID 133326755
4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one
CID 28693448
4-bromo-2-methyl-5-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
CID 127313792
1-[4-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 133303562
4-bromo-2-methyl-5-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 127640043
4-bromo-5-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 133331956
1-(2,5-dimethylpyrazol-3-yl)piperidine-3-carboxamide
CID 67413079
5-[4-(2-aminoethyl)piperidin-1-yl]-4-bromo-2-methylpyridazin-3-one
CID 114445498
1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide
CID 79075744
4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one
CID 33286693
1-(2-amino-5-bromophenyl)piperidine-3-carboxamide
CID 65341597
1-(5-aminopyrimidin-2-yl)piperidine-3-carboxamide
CID 61146740

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (CID 133302913) is 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is Cn1ncc(N2CCCC(C(N)=O)C2)c(Br)c1=O.
What is the InChIKey of 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is XATJEUYBRGKLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c1-15-11(18)9(12)8(5-14-15)16-4-2-3-7(6-16)10(13)17/h5,7H,2-4,6H2,1H3,(H2,13,17).
What are the key properties of 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 133302913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).