1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

C20H27FN4O2 — CID 55981672

IUPAC1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(CCN(C)C)Cc2ccccc2F)ccc1=O
InChIInChI=1S/C20H27FN4O2/c1-4-5-12-25-19(26)11-10-18(22-25)20(27)24(14-13-23(2)3)15-16-8-6-7-9-17(16)21/h6-11H,4-5,12-15H2,1-3H3
InChIKeySZMXBMWHKAKAMI-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.39
Rot. Bonds9

About 1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 55981672) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID55981672
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(CCN(C)C)Cc2ccccc2F)ccc1=O
InChIInChI=1S/C20H27FN4O2/c1-4-5-12-25-19(26)11-10-18(22-25)20(27)24(14-13-23(2)3)15-16-8-6-7-9-17(16)21/h6-11H,4-5,12-15H2,1-3H3
InChIKeySZMXBMWHKAKAMI-UHFFFAOYSA-N
XLogP2.39
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)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

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 55400244
1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide
CID 51233079
1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 55328835
N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 110886514
N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide
CID 49003488
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60559227
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 78770523
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
N-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide
CID 78785110
1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide
CID 31645263
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (CID 55981672) is 1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)N(CCN(C)C)Cc2ccccc2F)ccc1=O.
What is the InChIKey of 1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is SZMXBMWHKAKAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-4-5-12-25-19(26)11-10-18(22-25)20(27)24(14-13-23(2)3)15-16-8-6-7-9-17(16)21/h6-11H,4-5,12-15H2,1-3H3.
What are the key properties of 1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55981672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).