N-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide

C14H15FN4O2 — CID 106548325

IUPACN-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(F)c(N)c2)c(=O)c1
InChIInChI=1S/C14H15FN4O2/c1-9-6-14(21)19(17-8-9)5-4-13(20)18-10-2-3-11(15)12(16)7-10/h2-3,6-8H,4-5,16H2,1H3,(H,18,20)
InChIKeyXHUKKQALIZBXDH-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.30
Rot. Bonds4

About N-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide

N-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide (PubChem CID 106548325) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide
PubChem CID106548325
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(F)c(N)c2)c(=O)c1
InChIInChI=1S/C14H15FN4O2/c1-9-6-14(21)19(17-8-9)5-4-13(20)18-10-2-3-11(15)12(16)7-10/h2-3,6-8H,4-5,16H2,1H3,(H,18,20)
InChIKeyXHUKKQALIZBXDH-UHFFFAOYSA-N
XLogP1.30
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.30
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-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
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N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
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N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 63257477
N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776839
N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide
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N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 61402367
N-(3-amino-4-fluorophenyl)-3-propan-2-ylsulfanylpropanamide
CID 60885351
N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
CID 16782886
N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873846
N-(3-amino-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)sulfanylacetamide
CID 61384600
N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 16779380
1-[3-(3,4-difluoroanilino)-3-oxopropyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53065999

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide (CID 106548325) is N-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide is Cc1cnn(CCC(=O)Nc2ccc(F)c(N)c2)c(=O)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide?
The InChIKey is XHUKKQALIZBXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-9-6-14(21)19(17-8-9)5-4-13(20)18-10-2-3-11(15)12(16)7-10/h2-3,6-8H,4-5,16H2,1H3,(H,18,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide?
N-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide has a molecular weight of 290.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 106548325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).