N-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide

C23H33N7O2 — CID 122336609

IUPACN-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3ccc(N4CCN(CCO)CC4)nn3)CC2)c1C
InChIInChI=1S/C23H33N7O2/c1-18-4-3-5-20(19(18)2)24-23(32)30-14-12-29(13-15-30)22-7-6-21(25-26-22)28-10-8-27(9-11-28)16-17-31/h3-7,31H,8-17H2,1-2H3,(H,24,32)
InChIKeySMLZKOCCFGIPOV-UHFFFAOYSA-N
MW439.56 g/mol
LogP1.56
Rot. Bonds5

About N-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide

N-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 122336609) has the molecular formula C23H33N7O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID122336609
Molecular FormulaC23H33N7O2
Molecular Weight439.56 g/mol
Exact Mass439.27
IUPAC NameN-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3ccc(N4CCN(CCO)CC4)nn3)CC2)c1C
InChIInChI=1S/C23H33N7O2/c1-18-4-3-5-20(19(18)2)24-23(32)30-14-12-29(13-15-30)22-7-6-21(25-26-22)28-10-8-27(9-11-28)16-17-31/h3-7,31H,8-17H2,1-2H3,(H,24,32)
InChIKeySMLZKOCCFGIPOV-UHFFFAOYSA-N
XLogP1.56
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122336600
4-[3-(dimethylamino)-3-oxopropyl]-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 71917913
N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105204
N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336906
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336625
N-(2,3-dimethylphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111604
[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 121053608
N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111919
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 17297980
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203
N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106397
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide (CID 122336609) is N-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(c3ccc(N4CCN(CCO)CC4)nn3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is SMLZKOCCFGIPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O2/c1-18-4-3-5-20(19(18)2)24-23(32)30-14-12-29(13-15-30)22-7-6-21(25-26-22)28-10-8-27(9-11-28)16-17-31/h3-7,31H,8-17H2,1-2H3,(H,24,32).
What are the key properties of N-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide?
N-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122336609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).