N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide

C14H15FN4O2 — CID 62848889

IUPACN-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
SMILESNc1cc(F)ccc1NC(=O)CCCn1ncccc1=O
InChIInChI=1S/C14H15FN4O2/c15-10-5-6-12(11(16)9-10)18-13(20)3-2-8-19-14(21)4-1-7-17-19/h1,4-7,9H,2-3,8,16H2,(H,18,20)
InChIKeyIBCICEQIOIUWEQ-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.38
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide

N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide (PubChem CID 62848889) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
PubChem CID62848889
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
SMILESNc1cc(F)ccc1NC(=O)CCCn1ncccc1=O
InChIInChI=1S/C14H15FN4O2/c15-10-5-6-12(11(16)9-10)18-13(20)3-2-8-19-14(21)4-1-7-17-19/h1,4-7,9H,2-3,8,16H2,(H,18,20)
InChIKeyIBCICEQIOIUWEQ-UHFFFAOYSA-N
XLogP1.38
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide
CID 62850123
N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 55126633
N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16788694
N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16786978
N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
CID 62849241
N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide
CID 61402394
N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62850298
4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide
CID 132575924
N-(2-amino-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)sulfanylbutanamide
CID 61384713
N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884434
N-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide
CID 79468585
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide (CID 62848889) is N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide is Nc1cc(F)ccc1NC(=O)CCCn1ncccc1=O.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide?
The InChIKey is IBCICEQIOIUWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-10-5-6-12(11(16)9-10)18-13(20)3-2-8-19-14(21)4-1-7-17-19/h1,4-7,9H,2-3,8,16H2,(H,18,20).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide?
N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide has a molecular weight of 290.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide is sourced from PubChem (CID 62848889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).