4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide

C24H21FN4O2 — CID 142593486

IUPAC4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide
SMILESN#Cc1ccc(C(=O)NC2(c3ccc(-c4ccc(OCCF)nn4)cc3)CCC2)cc1
InChIInChI=1S/C24H21FN4O2/c25-14-15-31-22-11-10-21(28-29-22)18-6-8-20(9-7-18)24(12-1-13-24)27-23(30)19-4-2-17(16-26)3-5-19/h2-11H,1,12-15H2,(H,27,30)
InChIKeyAMKYELBMCZGNFG-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.17
Rot. Bonds7

About 4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide

4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide (PubChem CID 142593486) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide
PubChem CID142593486
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide
SMILESN#Cc1ccc(C(=O)NC2(c3ccc(-c4ccc(OCCF)nn4)cc3)CCC2)cc1
InChIInChI=1S/C24H21FN4O2/c25-14-15-31-22-11-10-21(28-29-22)18-6-8-20(9-7-18)24(12-1-13-24)27-23(30)19-4-2-17(16-26)3-5-19/h2-11H,1,12-15H2,(H,27,30)
InChIKeyAMKYELBMCZGNFG-UHFFFAOYSA-N
XLogP4.17
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[1-[4-[6-(methylsulfonylmethyl)-3-pyridinyl]phenyl]cyclobutyl]benzamide
CID 150254102
N-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide
CID 155124066
tert-butyl N-[1-(4-cyanophenyl)cyclobutyl]carbamate
CID 46856381
4-(6-methoxypyridazin-3-yl)benzonitrile
CID 16743326
N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide
CID 155315729
4-ethynyl-N-[1-[4-[6-(6-methoxy-2-pyridinyl)-2-pyridinyl]phenyl]cyclopropyl]benzamide
CID 155316047
3,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110444172
N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-4-[2-(2-fluoroethoxy)ethoxy]benzamide
CID 142608248
4-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopentyl]benzamide;hydrochloride
CID 119305591
1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24705520
4-ethynyl-N-[1-[4-[2-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]benzamide
CID 155317109
N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide
CID 46386967

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide?
The IUPAC name of 4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide (CID 142593486) is 4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide.
What is the SMILES notation for 4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide?
The canonical SMILES for 4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide is N#Cc1ccc(C(=O)NC2(c3ccc(-c4ccc(OCCF)nn4)cc3)CCC2)cc1.
What is the InChIKey of 4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide?
The InChIKey is AMKYELBMCZGNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-14-15-31-22-11-10-21(28-29-22)18-6-8-20(9-7-18)24(12-1-13-24)27-23(30)19-4-2-17(16-26)3-5-19/h2-11H,1,12-15H2,(H,27,30).
What are the key properties of 4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide?
4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide has a molecular weight of 416.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide is sourced from PubChem (CID 142593486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).