N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide

C21H19F2N5O — CID 109123134

IUPACN-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(N2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C21H19F2N5O/c22-17-7-6-15(14-18(17)23)24-21(29)19-8-9-20(26-25-19)28-12-10-27(11-13-28)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,24,29)
InChIKeyJJDNYCBUBDZICE-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.33
Rot. Bonds4

About N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide

N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide (PubChem CID 109123134) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
PubChem CID109123134
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC NameN-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(N2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C21H19F2N5O/c22-17-7-6-15(14-18(17)23)24-21(29)19-8-9-20(26-25-19)28-12-10-27(11-13-28)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,24,29)
InChIKeyJJDNYCBUBDZICE-UHFFFAOYSA-N
XLogP3.33
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide (CID 109123134) is N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(N2CCN(c3ccccc3)CC2)nn1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide?
The InChIKey is JJDNYCBUBDZICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O/c22-17-7-6-15(14-18(17)23)24-21(29)19-8-9-20(26-25-19)28-12-10-27(11-13-28)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,24,29).
What are the key properties of N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide?
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109123134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).