N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

C18H23FN4O2 — CID 100676394

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESCCN(CCCN(C)C)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H23FN4O2/c1-4-22(13-5-12-21(2)3)18(25)16-10-11-17(24)23(20-16)15-8-6-14(19)7-9-15/h6-11H,4-5,12-13H2,1-3H3
InChIKeyNHJZZNJHQJYPEG-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.79
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 100676394) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID100676394
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESCCN(CCCN(C)C)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H23FN4O2/c1-4-22(13-5-12-21(2)3)18(25)16-10-11-17(24)23(20-16)15-8-6-14(19)7-9-15/h6-11H,4-5,12-13H2,1-3H3
InChIKeyNHJZZNJHQJYPEG-UHFFFAOYSA-N
XLogP1.79
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-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,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 166181653
2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193091
N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 47089546
N-[2-(ethylamino)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119505450
1-(4-fluorophenyl)-6-oxo-N-(2-phenylethyl)-N-prop-2-enylpyridazine-3-carboxamide
CID 47082609
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55950631
N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 55630714
N-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide
CID 78785110
N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 102978931
N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632249
N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 86859455
3-[ethyl-[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 120516708

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (CID 100676394) is N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is CCN(CCCN(C)C)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is NHJZZNJHQJYPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-4-22(13-5-12-21(2)3)18(25)16-10-11-17(24)23(20-16)15-8-6-14(19)7-9-15/h6-11H,4-5,12-13H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 100676394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).