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

C21H26F2N6O — CID 122335723

IUPACN-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCC1CCCCN1c1ccc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)nn1
InChIInChI=1S/C21H26F2N6O/c1-15-4-2-3-7-29(15)20-6-5-19(25-26-20)27-8-10-28(11-9-27)21(30)24-18-13-16(22)12-17(23)14-18/h5-6,12-15H,2-4,7-11H2,1H3,(H,24,30)
InChIKeyWNSHSRDEPRXRDH-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.49
Rot. Bonds3

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

N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 122335723) has the molecular formula C21H26F2N6O and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID122335723
Molecular FormulaC21H26F2N6O
Molecular Weight416.48 g/mol
Exact Mass416.21
IUPAC NameN-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCC1CCCCN1c1ccc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)nn1
InChIInChI=1S/C21H26F2N6O/c1-15-4-2-3-7-29(15)20-6-5-19(25-26-20)27-8-10-28(11-9-27)21(30)24-18-13-16(22)12-17(23)14-18/h5-6,12-15H,2-4,7-11H2,1H3,(H,24,30)
InChIKeyWNSHSRDEPRXRDH-UHFFFAOYSA-N
XLogP3.49
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335737
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
N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122335147
(3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335846
N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334290
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121053900
N-(3,5-difluorophenyl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50753236
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053897

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide (CID 122335723) is N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide is CC1CCCCN1c1ccc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)nn1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is WNSHSRDEPRXRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N6O/c1-15-4-2-3-7-29(15)20-6-5-19(25-26-20)27-8-10-28(11-9-27)21(30)24-18-13-16(22)12-17(23)14-18/h5-6,12-15H,2-4,7-11H2,1H3,(H,24,30).
What are the key properties of N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122335723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).