N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide

C20H18N8O — CID 109124224

IUPACN-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(N3CCN(c4ncccn4)CC3)nn2)cc1
InChIInChI=1S/C20H18N8O/c21-14-15-2-4-16(5-3-15)24-19(29)17-6-7-18(26-25-17)27-10-12-28(13-11-27)20-22-8-1-9-23-20/h1-9H,10-13H2,(H,24,29)
InChIKeyOAKGGTGIXWWBCF-UHFFFAOYSA-N
MW386.42 g/mol
LogP1.72
Rot. Bonds4

About N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide

N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide (PubChem CID 109124224) has the molecular formula C20H18N8O and a molecular weight of 386.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
PubChem CID109124224
Molecular FormulaC20H18N8O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC NameN-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(N3CCN(c4ncccn4)CC3)nn2)cc1
InChIInChI=1S/C20H18N8O/c21-14-15-2-4-16(5-3-15)24-19(29)17-6-7-18(26-25-17)27-10-12-28(13-11-27)20-22-8-1-9-23-20/h1-9H,10-13H2,(H,24,29)
InChIKeyOAKGGTGIXWWBCF-UHFFFAOYSA-N
XLogP1.72
TPSA110.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124222
N-(4-cyanophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126028
N-(4-cyanophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 33473460
N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286642
N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109216287
N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124209
N-(4-cyanophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310358
N-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174704
2-(4-benzylpiperazin-1-yl)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109309435
4-[[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]benzonitrile
CID 109004969
N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116557
2-methyl-N-(4-methylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109373247

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide (CID 109124224) is N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide is N#Cc1ccc(NC(=O)c2ccc(N3CCN(c4ncccn4)CC3)nn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide?
The InChIKey is OAKGGTGIXWWBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O/c21-14-15-2-4-16(5-3-15)24-19(29)17-6-7-18(26-25-17)27-10-12-28(13-11-27)20-22-8-1-9-23-20/h1-9H,10-13H2,(H,24,29).
What are the key properties of N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide?
N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109124224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).