N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide

C14H13FN4O4 — CID 42162099

IUPACN-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1=O
InChIInChI=1S/C14H13FN4O4/c1-2-7-18-13(20)6-5-11(17-18)14(21)16-9-3-4-10(15)12(8-9)19(22)23/h3-6,8H,2,7H2,1H3,(H,16,21)
InChIKeyLHBGEBROBNBZEH-UHFFFAOYSA-N
MW320.28 g/mol
LogP1.95
Rot. Bonds5

About N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 42162099) has the molecular formula C14H13FN4O4 and a molecular weight of 320.28 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID42162099
Molecular FormulaC14H13FN4O4
Molecular Weight320.28 g/mol
Exact Mass320.09
IUPAC NameN-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1=O
InChIInChI=1S/C14H13FN4O4/c1-2-7-18-13(20)6-5-11(17-18)14(21)16-9-3-4-10(15)12(8-9)19(22)23/h3-6,8H,2,7H2,1H3,(H,16,21)
InChIKeyLHBGEBROBNBZEH-UHFFFAOYSA-N
XLogP1.95
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluoro-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 42161818
1-benzyl-N-(4-fluoro-3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161885
N-(3,4-dimethylphenyl)-1-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 41248130
1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161973
N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 34653227
N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 30730757
6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42162095
N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 18081340
1-[3-(3,4-difluoroanilino)-3-oxopropyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53065999
6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide
CID 121167574
1-[3-(3,4-difluoroanilino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066181
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)butanamide
CID 16885594

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 42162099) is N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1=O.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is LHBGEBROBNBZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O4/c1-2-7-18-13(20)6-5-11(17-18)14(21)16-9-3-4-10(15)12(8-9)19(22)23/h3-6,8H,2,7H2,1H3,(H,16,21).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 320.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 42162099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).