N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide

C15H19N7O — CID 133458571

IUPACN-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(c3ccnc(C)n3)CC2)nn1
InChIInChI=1S/C15H19N7O/c1-11-17-6-5-13(18-11)21-7-9-22(10-8-21)14-4-3-12(19-20-14)15(23)16-2/h3-6H,7-10H2,1-2H3,(H,16,23)
InChIKeyLFKZJLDDGFVZGC-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.26
Rot. Bonds3

About N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide

N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 133458571) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID133458571
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC NameN-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(c3ccnc(C)n3)CC2)nn1
InChIInChI=1S/C15H19N7O/c1-11-17-6-5-13(18-11)21-7-9-22(10-8-21)14-4-3-12(19-20-14)15(23)16-2/h3-6H,7-10H2,1-2H3,(H,16,23)
InChIKeyLFKZJLDDGFVZGC-UHFFFAOYSA-N
XLogP0.26
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329406
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 133458607
N-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133339559
N-methyl-6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133487033
6-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-N-methylpyridazine-3-carboxamide
CID 96566216
2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine
CID 139029254
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329265
N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide
CID 133342994
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
1-(2-methylpyrimidin-4-yl)piperidin-4-one
CID 62785662
6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 71996644
N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide
CID 133329365

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide (CID 133458571) is N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCN(c3ccnc(C)n3)CC2)nn1.
What is the InChIKey of N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is LFKZJLDDGFVZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-11-17-6-5-13(18-11)21-7-9-22(10-8-21)14-4-3-12(19-20-14)15(23)16-2/h3-6H,7-10H2,1-2H3,(H,16,23).
What are the key properties of N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide?
N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 133458571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).