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

C17H20F2N6O — CID 122342617

IUPACN-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCN(C)c1cnnc(N2CCN(C(=O)Nc3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C17H20F2N6O/c1-23(2)13-10-16(22-20-11-13)24-5-7-25(8-6-24)17(26)21-15-9-12(18)3-4-14(15)19/h3-4,9-11H,5-8H2,1-2H3,(H,21,26)
InChIKeyUEFREESHJFLPMI-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.17
Rot. Bonds3

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

N-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 122342617) has the molecular formula C17H20F2N6O and a molecular weight of 362.38 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID122342617
Molecular FormulaC17H20F2N6O
Molecular Weight362.38 g/mol
Exact Mass362.17
IUPAC NameN-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCN(C)c1cnnc(N2CCN(C(=O)Nc3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C17H20F2N6O/c1-23(2)13-10-16(22-20-11-13)24-5-7-25(8-6-24)17(26)21-15-9-12(18)3-4-14(15)19/h3-4,9-11H,5-8H2,1-2H3,(H,21,26)
InChIKeyUEFREESHJFLPMI-UHFFFAOYSA-N
XLogP2.17
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 91968748
N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122342618
4-[5-(dimethylamino)pyridazin-3-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 91968747
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 71807486
N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3258791
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine
CID 71807510
4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112737
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 91968699
N-(2,4-difluorophenyl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56919621
[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 122342772
[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone
CID 122342714

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide (CID 122342617) is N-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide is CN(C)c1cnnc(N2CCN(C(=O)Nc3cc(F)ccc3F)CC2)c1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is UEFREESHJFLPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N6O/c1-23(2)13-10-16(22-20-11-13)24-5-7-25(8-6-24)17(26)21-15-9-12(18)3-4-14(15)19/h3-4,9-11H,5-8H2,1-2H3,(H,21,26).
What are the key properties of N-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
N-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122342617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).