N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide

C15H17FN4O — CID 113038324

IUPACN-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide
SMILESCCCCNc1ccc(NC(=O)c2ccccc2F)nn1
InChIInChI=1S/C15H17FN4O/c1-2-3-10-17-13-8-9-14(20-19-13)18-15(21)11-6-4-5-7-12(11)16/h4-9H,2-3,10H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyDQUXJRGVBOYNLN-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.08
Rot. Bonds6

About N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide

N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide (PubChem CID 113038324) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide
PubChem CID113038324
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide
SMILESCCCCNc1ccc(NC(=O)c2ccccc2F)nn1
InChIInChI=1S/C15H17FN4O/c1-2-3-10-17-13-8-9-14(20-19-13)18-15(21)11-6-4-5-7-12(11)16/h4-9H,2-3,10H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyDQUXJRGVBOYNLN-UHFFFAOYSA-N
XLogP3.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044681
2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044650
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide
CID 113041609
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113038336
N-[6-(pentylamino)pyridazin-3-yl]propanamide
CID 113044628
N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113038313
N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide
CID 113038054
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113038339
6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109110690
methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049347
N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide
CID 113038340
6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109110630

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide (CID 113038324) is N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide is CCCCNc1ccc(NC(=O)c2ccccc2F)nn1.
What is the InChIKey of N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide?
The InChIKey is DQUXJRGVBOYNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-2-3-10-17-13-8-9-14(20-19-13)18-15(21)11-6-4-5-7-12(11)16/h4-9H,2-3,10H2,1H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide?
N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide has a molecular weight of 288.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 113038324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).