N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide

C18H24N6O — CID 113049844

IUPACN-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc(N3CCN(C)CC3)cc2)nn1
InChIInChI=1S/C18H24N6O/c1-3-18(25)20-17-9-8-16(21-22-17)19-14-4-6-15(7-5-14)24-12-10-23(2)11-13-24/h4-9H,3,10-13H2,1-2H3,(H,19,21)(H,20,22,25)
InChIKeyUQOVXJCTWGXGHG-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.32
Rot. Bonds5

About N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide

N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide (PubChem CID 113049844) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide
PubChem CID113049844
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc(N3CCN(C)CC3)cc2)nn1
InChIInChI=1S/C18H24N6O/c1-3-18(25)20-17-9-8-16(21-22-17)19-14-4-6-15(7-5-14)24-12-10-23(2)11-13-24/h4-9H,3,10-13H2,1-2H3,(H,19,21)(H,20,22,25)
InChIKeyUQOVXJCTWGXGHG-UHFFFAOYSA-N
XLogP2.32
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate
CID 113049859
6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide
CID 109126707
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide
CID 113047106
N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
CID 113048275
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide
CID 113049713
6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110732
N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide
CID 113049889
2-(3-fluorophenyl)-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]acetamide
CID 113049731
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5026538

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide?
The IUPAC name of N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide (CID 113049844) is N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide.
What is the SMILES notation for N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide?
The canonical SMILES for N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide is CCC(=O)Nc1ccc(Nc2ccc(N3CCN(C)CC3)cc2)nn1.
What is the InChIKey of N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide?
The InChIKey is UQOVXJCTWGXGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-3-18(25)20-17-9-8-16(21-22-17)19-14-4-6-15(7-5-14)24-12-10-23(2)11-13-24/h4-9H,3,10-13H2,1-2H3,(H,19,21)(H,20,22,25).
What are the key properties of N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide?
N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide has a molecular weight of 340.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide is sourced from PubChem (CID 113049844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).