N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide

C15H20N6O2 — CID 138025521

IUPACN-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCn1ccc(C2CCCN(C(=O)Nc3ccc(=O)n(C)n3)C2)n1
InChIInChI=1S/C15H20N6O2/c1-19-9-7-12(17-19)11-4-3-8-21(10-11)15(23)16-13-5-6-14(22)20(2)18-13/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,16,18,23)
InChIKeyMBTQKJGCIFBMDW-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.93
Rot. Bonds2

About N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide

N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 138025521) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID138025521
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCn1ccc(C2CCCN(C(=O)Nc3ccc(=O)n(C)n3)C2)n1
InChIInChI=1S/C15H20N6O2/c1-19-9-7-12(17-19)11-4-3-8-21(10-11)15(23)16-13-5-6-14(22)20(2)18-13/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,16,18,23)
InChIKeyMBTQKJGCIFBMDW-UHFFFAOYSA-N
XLogP0.93
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662473
N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 121021056
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
(4aR,7aS)-6-methyl-N-(1-methyl-6-oxopyridazin-3-yl)-5-oxo-2,3,4,4a,7,7a-hexahydropyrrolo[3,4-b]pyridine-1-carboxamide
CID 167805475
4-[cyclobutyl(methylsulfonyl)amino]-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide
CID 128996295
(5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119103878
[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 129356851
[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 129356165
1-benzothiophen-2-yl-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119103885
2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 129356194
3-cyclopentyl-1-methylpyrazole
CID 23300003
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 138025916

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide (CID 138025521) is N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide is Cn1ccc(C2CCCN(C(=O)Nc3ccc(=O)n(C)n3)C2)n1.
What is the InChIKey of N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is MBTQKJGCIFBMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-19-9-7-12(17-19)11-4-3-8-21(10-11)15(23)16-13-5-6-14(22)20(2)18-13/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,16,18,23).
What are the key properties of N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138025521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).