N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide

C18H23N5O — CID 113043638

IUPACN-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(c3cccc(C)c3)CC2)nn1
InChIInChI=1S/C18H23N5O/c1-3-18(24)19-16-7-8-17(21-20-16)23-11-9-22(10-12-23)15-6-4-5-14(2)13-15/h4-8,13H,3,9-12H2,1-2H3,(H,19,20,24)
InChIKeyIPWDUXIQUXZXFY-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.46
Rot. Bonds4

About N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide

N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide (PubChem CID 113043638) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide
PubChem CID113043638
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(c3cccc(C)c3)CC2)nn1
InChIInChI=1S/C18H23N5O/c1-3-18(24)19-16-7-8-17(21-20-16)23-11-9-22(10-12-23)15-6-4-5-14(2)13-15/h4-8,13H,3,9-12H2,1-2H3,(H,19,20,24)
InChIKeyIPWDUXIQUXZXFY-UHFFFAOYSA-N
XLogP2.46
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide
CID 113043643
N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029350
N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide
CID 113043644
N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 109123938
N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide
CID 113043728
N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109172
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112677
2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 39181745
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116337
[6-(azepan-1-yl)pyridazin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109123948
2-(3-methylphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045060
[4-(3-methylphenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 71794792

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide?
The IUPAC name of N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide (CID 113043638) is N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide.
What is the SMILES notation for N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide?
The canonical SMILES for N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide is CCC(=O)Nc1ccc(N2CCN(c3cccc(C)c3)CC2)nn1.
What is the InChIKey of N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide?
The InChIKey is IPWDUXIQUXZXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-18(24)19-16-7-8-17(21-20-16)23-11-9-22(10-12-23)15-6-4-5-14(2)13-15/h4-8,13H,3,9-12H2,1-2H3,(H,19,20,24).
What are the key properties of N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide?
N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide has a molecular weight of 325.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide is sourced from PubChem (CID 113043638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).