1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide

C18H21F2N3O3 — CID 78808234

IUPAC1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCc2ccc(OC(F)F)cc2)ccc1=O
InChIInChI=1S/C18H21F2N3O3/c1-2-3-12-23-16(24)9-8-15(22-23)17(25)21-11-10-13-4-6-14(7-5-13)26-18(19)20/h4-9,18H,2-3,10-12H2,1H3,(H,21,25)
InChIKeyAVKRMVVMEHEQTO-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.62
Rot. Bonds9

About 1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide

1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 78808234) has the molecular formula C18H21F2N3O3 and a molecular weight of 365.38 g/mol. Its IUPAC name is 1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide
PubChem CID78808234
Molecular FormulaC18H21F2N3O3
Molecular Weight365.38 g/mol
Exact Mass365.16
IUPAC Name1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCc2ccc(OC(F)F)cc2)ccc1=O
InChIInChI=1S/C18H21F2N3O3/c1-2-3-12-23-16(24)9-8-15(22-23)17(25)21-11-10-13-4-6-14(7-5-13)26-18(19)20/h4-9,18H,2-3,10-12H2,1H3,(H,21,25)
InChIKeyAVKRMVVMEHEQTO-UHFFFAOYSA-N
XLogP2.62
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-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-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51201885
4-[2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]ethyl]benzoic acid
CID 71894223
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
1-butyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 103767607
1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide
CID 55803508
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832412
N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide
CID 49003488
1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512
1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide
CID 103862339
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
1-butyl-N-[(2-methylpropan-2-yl)oxy]-6-oxopyridazine-3-carboxamide
CID 82724984

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide (CID 78808234) is 1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NCCc2ccc(OC(F)F)cc2)ccc1=O.
What is the InChIKey of 1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is AVKRMVVMEHEQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O3/c1-2-3-12-23-16(24)9-8-15(22-23)17(25)21-11-10-13-4-6-14(7-5-13)26-18(19)20/h4-9,18H,2-3,10-12H2,1H3,(H,21,25).
What are the key properties of 1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide?
1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 78808234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).