N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide

C18H22ClN5O3 — CID 109116283

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(N3CCN(C)CC3)nn2)c(OC)cc1Cl
InChIInChI=1S/C18H22ClN5O3/c1-23-6-8-24(9-7-23)17-5-4-13(21-22-17)18(25)20-14-11-15(26-2)12(19)10-16(14)27-3/h4-5,10-11H,6-9H2,1-3H3,(H,20,25)
InChIKeyQRHZLDYABQBIPM-UHFFFAOYSA-N
MW391.86 g/mol
LogP2.15
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide (PubChem CID 109116283) has the molecular formula C18H22ClN5O3 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
PubChem CID109116283
Molecular FormulaC18H22ClN5O3
Molecular Weight391.86 g/mol
Exact Mass391.14
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(N3CCN(C)CC3)nn2)c(OC)cc1Cl
InChIInChI=1S/C18H22ClN5O3/c1-23-6-8-24(9-7-23)17-5-4-13(21-22-17)18(25)20-14-11-15(26-2)12(19)10-16(14)27-3/h4-5,10-11H,6-9H2,1-3H3,(H,20,25)
InChIKeyQRHZLDYABQBIPM-UHFFFAOYSA-N
XLogP2.15
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116280
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366997
N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 108988465
6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 60859836
N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116216
N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342307
methyl 3-[[6-(4-methylpiperazin-1-yl)pyridazine-3-carbonyl]amino]benzoate
CID 109116247
N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028198
N-(5-chloro-2,4-dimethoxyphenyl)-4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56699057
6-piperidin-1-yl-N-(3,4,5-trimethoxyphenyl)pyridazine-3-carboxamide
CID 109112601
methyl 3-[[6-(azepan-1-yl)pyridazine-3-carbonyl]amino]-4-chlorobenzoate
CID 109126408
N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110369

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide (CID 109116283) is N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide is COc1cc(NC(=O)c2ccc(N3CCN(C)CC3)nn2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide?
The InChIKey is QRHZLDYABQBIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O3/c1-23-6-8-24(9-7-23)17-5-4-13(21-22-17)18(25)20-14-11-15(26-2)12(19)10-16(14)27-3/h4-5,10-11H,6-9H2,1-3H3,(H,20,25).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109116283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).