N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide

C15H16FN3O3 — CID 71998964

IUPACN-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(CNC(=O)c1ccc(=O)n(C)n1)Oc1cccc(F)c1
InChIInChI=1S/C15H16FN3O3/c1-10(22-12-5-3-4-11(16)8-12)9-17-15(21)13-6-7-14(20)19(2)18-13/h3-8,10H,9H2,1-2H3,(H,17,21)
InChIKeyMCIGVVZYZUHKHN-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.12
Rot. Bonds5

About N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 71998964) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID71998964
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC NameN-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(CNC(=O)c1ccc(=O)n(C)n1)Oc1cccc(F)c1
InChIInChI=1S/C15H16FN3O3/c1-10(22-12-5-3-4-11(16)8-12)9-17-15(21)13-6-7-14(20)19(2)18-13/h3-8,10H,9H2,1-2H3,(H,17,21)
InChIKeyMCIGVVZYZUHKHN-UHFFFAOYSA-N
XLogP1.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-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-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71784674
N-[5-(3-fluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139521777
N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 37361215
1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508454
N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 66176866
1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111508432
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51201885
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 56821713
2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid
CID 65219750
1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111502904
N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide
CID 119804736
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 34963440

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 71998964) is N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide is CC(CNC(=O)c1ccc(=O)n(C)n1)Oc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is MCIGVVZYZUHKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-10(22-12-5-3-4-11(16)8-12)9-17-15(21)13-6-7-14(20)19(2)18-13/h3-8,10H,9H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 71998964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).