N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide

C20H18F2N6O — CID 109124140

IUPACN-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(N2CCN(c3ccccn3)CC2)nn1
InChIInChI=1S/C20H18F2N6O/c21-14-4-5-16(15(22)13-14)24-20(29)17-6-7-19(26-25-17)28-11-9-27(10-12-28)18-3-1-2-8-23-18/h1-8,13H,9-12H2,(H,24,29)
InChIKeyYJJKUEQNQSWJCN-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.73
Rot. Bonds4

About N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide

N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide (PubChem CID 109124140) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
PubChem CID109124140
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC NameN-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(N2CCN(c3ccccn3)CC2)nn1
InChIInChI=1S/C20H18F2N6O/c21-14-4-5-16(15(22)13-14)24-20(29)17-6-7-19(26-25-17)28-11-9-27(10-12-28)18-3-1-2-8-23-18/h1-8,13H,9-12H2,(H,24,29)
InChIKeyYJJKUEQNQSWJCN-UHFFFAOYSA-N
XLogP2.73
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174623
N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160574
N-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574184
N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109109270
[5-(2,4-difluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238623
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113956
4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043874
N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124209
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124222
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109123532
N-[2-[(2,4-difluorobenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834647
N-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191145

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide (CID 109124140) is N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc(N2CCN(c3ccccn3)CC2)nn1.
What is the InChIKey of N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide?
The InChIKey is YJJKUEQNQSWJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O/c21-14-4-5-16(15(22)13-14)24-20(29)17-6-7-19(26-25-17)28-11-9-27(10-12-28)18-3-1-2-8-23-18/h1-8,13H,9-12H2,(H,24,29).
What are the key properties of N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide?
N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109124140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).