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

C20H27N5O — CID 113043643

IUPAC3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)CC(C)C)nn3)CC2)c1
InChIInChI=1S/C20H27N5O/c1-15(2)13-20(26)21-18-7-8-19(23-22-18)25-11-9-24(10-12-25)17-6-4-5-16(3)14-17/h4-8,14-15H,9-13H2,1-3H3,(H,21,22,26)
InChIKeyBAZVXRMPGUDBPN-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.10
Rot. Bonds5

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

3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide (PubChem CID 113043643) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide
PubChem CID113043643
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)CC(C)C)nn3)CC2)c1
InChIInChI=1S/C20H27N5O/c1-15(2)13-20(26)21-18-7-8-19(23-22-18)25-11-9-24(10-12-25)17-6-4-5-16(3)14-17/h4-8,14-15H,9-13H2,1-3H3,(H,21,22,26)
InChIKeyBAZVXRMPGUDBPN-UHFFFAOYSA-N
XLogP3.10
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide
CID 113043638
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-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029350
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112677
N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide
CID 113043728
2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029352
2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 39181745
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]-(4-methylpiperazin-1-yl)methanone
CID 109116337
[6-(azepan-1-yl)pyridazin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109123948
[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 3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide (CID 113043643) is 3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide is Cc1cccc(N2CCN(c3ccc(NC(=O)CC(C)C)nn3)CC2)c1.
What is the InChIKey of 3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide?
The InChIKey is BAZVXRMPGUDBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15(2)13-20(26)21-18-7-8-19(23-22-18)25-11-9-24(10-12-25)17-6-4-5-16(3)14-17/h4-8,14-15H,9-13H2,1-3H3,(H,21,22,26).
What are the key properties of 3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide?
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide has a molecular weight of 353.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide is sourced from PubChem (CID 113043643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).