6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide

C17H23N5O — CID 109110726

IUPAC6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccc(N(C)C)cc2)nn1
InChIInChI=1S/C17H23N5O/c1-4-5-12-18-16-11-10-15(20-21-16)17(23)19-13-6-8-14(9-7-13)22(2)3/h6-11H,4-5,12H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyLWMDKJPQEUYQND-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.01
Rot. Bonds7

About 6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide

6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide (PubChem CID 109110726) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
PubChem CID109110726
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccc(N(C)C)cc2)nn1
InChIInChI=1S/C17H23N5O/c1-4-5-12-18-16-11-10-15(20-21-16)17(23)19-13-6-8-14(9-7-13)22(2)3/h6-11H,4-5,12H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyLWMDKJPQEUYQND-UHFFFAOYSA-N
XLogP3.01
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide
CID 109125429
N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114220
6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125420
N-(1,3-benzodioxol-5-yl)-6-(butylamino)pyridazine-3-carboxamide
CID 109110742
N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127978
6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110732
2-(butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109296454
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
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-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114172

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide (CID 109110726) is 6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide is CCCCNc1ccc(C(=O)Nc2ccc(N(C)C)cc2)nn1.
What is the InChIKey of 6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide?
The InChIKey is LWMDKJPQEUYQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-4-5-12-18-16-11-10-15(20-21-16)17(23)19-13-6-8-14(9-7-13)22(2)3/h6-11H,4-5,12H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of 6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide?
6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109110726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).