6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide

C20H28N6O — CID 109110732

IUPAC6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)nn1
InChIInChI=1S/C20H28N6O/c1-3-4-11-21-19-10-9-18(23-24-19)20(27)22-16-5-7-17(8-6-16)26-14-12-25(2)13-15-26/h5-10H,3-4,11-15H2,1-2H3,(H,21,24)(H,22,27)
InChIKeyDEUWLNDSIHHRRH-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.69
Rot. Bonds7

About 6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide

6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 109110732) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide
PubChem CID109110732
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)nn1
InChIInChI=1S/C20H28N6O/c1-3-4-11-21-19-10-9-18(23-24-19)20(27)22-16-5-7-17(8-6-16)26-14-12-25(2)13-15-26/h5-10H,3-4,11-15H2,1-2H3,(H,21,24)(H,22,27)
InChIKeyDEUWLNDSIHHRRH-UHFFFAOYSA-N
XLogP2.69
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110730
6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109125432
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide
CID 109195891
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354483
6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide
CID 109126707
6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109110726
2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide
CID 109094346
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide
CID 109151220
[6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109110625
N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide
CID 109125429
6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125219
6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125420

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide (CID 109110732) is 6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide is CCCCNc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)nn1.
What is the InChIKey of 6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide?
The InChIKey is DEUWLNDSIHHRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-3-4-11-21-19-10-9-18(23-24-19)20(27)22-16-5-7-17(8-6-16)26-14-12-25(2)13-15-26/h5-10H,3-4,11-15H2,1-2H3,(H,21,24)(H,22,27).
What are the key properties of 6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide?
6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109110732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).