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

C20H18N8O — CID 109124222

IUPACN-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C20H18N8O/c21-14-15-4-1-2-5-16(15)24-19(29)17-6-7-18(26-25-17)27-10-12-28(13-11-27)20-22-8-3-9-23-20/h1-9H,10-13H2,(H,24,29)
InChIKeyKKBLPNLGTDUVGG-UHFFFAOYSA-N
MW386.42 g/mol
LogP1.72
Rot. Bonds4

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

N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide (PubChem CID 109124222) has the molecular formula C20H18N8O and a molecular weight of 386.42 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
PubChem CID109124222
Molecular FormulaC20H18N8O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC NameN-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C20H18N8O/c21-14-15-4-1-2-5-16(15)24-19(29)17-6-7-18(26-25-17)27-10-12-28(13-11-27)20-22-8-3-9-23-20/h1-9H,10-13H2,(H,24,29)
InChIKeyKKBLPNLGTDUVGG-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)pyridine-3-carboxamide
CID 109160656
N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124209
N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124224
N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108501653
6-amino-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 55043296
N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299125
N-(2-cyanophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108979029
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
N-(2-cyano-4-nitrophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027748
N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160648
5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109285493
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide (CID 109124222) is N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide is N#Cc1ccccc1NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)nn1.
What is the InChIKey of N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide?
The InChIKey is KKBLPNLGTDUVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O/c21-14-15-4-1-2-5-16(15)24-19(29)17-6-7-18(26-25-17)27-10-12-28(13-11-27)20-22-8-3-9-23-20/h1-9H,10-13H2,(H,24,29).
What are the key properties of N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide?
N-(2-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-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109124222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).