N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide

C23H32N6O — CID 122335737

IUPACN-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)c1
InChIInChI=1S/C23H32N6O/c1-17-14-18(2)16-20(15-17)24-23(30)28-12-10-27(11-13-28)21-7-8-22(26-25-21)29-9-5-4-6-19(29)3/h7-8,14-16,19H,4-6,9-13H2,1-3H3,(H,24,30)
InChIKeyZVWQIIMGPFPZEH-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.83
Rot. Bonds3

About N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide

N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 122335737) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID122335737
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC NameN-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)c1
InChIInChI=1S/C23H32N6O/c1-17-14-18(2)16-20(15-17)24-23(30)28-12-10-27(11-13-28)21-7-8-22(26-25-21)29-9-5-4-6-19(29)3/h7-8,14-16,19H,4-6,9-13H2,1-3H3,(H,24,30)
InChIKeyZVWQIIMGPFPZEH-UHFFFAOYSA-N
XLogP3.83
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335723
N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334290
N-(3-fluoro-4-methylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335740
N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335713
N-(4-ethoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335735
1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053393
4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122335991
(3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053406
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121053900
(3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335846

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide (CID 122335737) is N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide is Cc1cc(C)cc(NC(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is ZVWQIIMGPFPZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-17-14-18(2)16-20(15-17)24-23(30)28-12-10-27(11-13-28)21-7-8-22(26-25-21)29-9-5-4-6-19(29)3/h7-8,14-16,19H,4-6,9-13H2,1-3H3,(H,24,30).
What are the key properties of N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122335737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).