cyclohexane;N-cyclohexyl-3-(6-oxo-5H-imidazo[1,2-b]pyridazin-3-yl)benzamide

C25H32N4O2 — CID 143597830

IUPACcyclohexane;N-cyclohexyl-3-(6-oxo-5H-imidazo[1,2-b]pyridazin-3-yl)benzamide
SMILESC1CCCCC1.O=C(NC1CCCCC1)c1cccc(-c2cnc3ccc(=O)[nH]n23)c1
InChIInChI=1S/C19H20N4O2.C6H12/c24-18-10-9-17-20-12-16(23(17)22-18)13-5-4-6-14(11-13)19(25)21-15-7-2-1-3-8-15;1-2-4-6-5-3-1/h4-6,9-12,15H,1-3,7-8H2,(H,21,25)(H,22,24);1-6H2
InChIKeyAOXCYSYCIZNNBW-UHFFFAOYSA-N
MW420.56 g/mol
LogP5.09
Rot. Bonds3

About cyclohexane;N-cyclohexyl-3-(6-oxo-5H-imidazo[1,2-b]pyridazin-3-yl)benzamide

cyclohexane;N-cyclohexyl-3-(6-oxo-5H-imidazo[1,2-b]pyridazin-3-yl)benzamide (PubChem CID 143597830) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is cyclohexane;N-cyclohexyl-3-(6-oxo-5H-imidazo[1,2-b]pyridazin-3-yl)benzamide.

Molecular Properties

Compound Namecyclohexane;N-cyclohexyl-3-(6-oxo-5H-imidazo[1,2-b]pyridazin-3-yl)benzamide
PubChem CID143597830
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Namecyclohexane;N-cyclohexyl-3-(6-oxo-5H-imidazo[1,2-b]pyridazin-3-yl)benzamide
SMILESC1CCCCC1.O=C(NC1CCCCC1)c1cccc(-c2cnc3ccc(=O)[nH]n23)c1
InChIInChI=1S/C19H20N4O2.C6H12/c24-18-10-9-17-20-12-16(23(17)22-18)13-5-4-6-14(11-13)19(25)21-15-7-2-1-3-8-15;1-2-4-6-5-3-1/h4-6,9-12,15H,1-3,7-8H2,(H,21,25)(H,22,24);1-6H2
InChIKeyAOXCYSYCIZNNBW-UHFFFAOYSA-N
XLogP5.09
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 25102960
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-cyclooctyl-3-methylbenzamide
CID 966011
N-cyclohexyl-3-piperazin-1-ylbenzamide
CID 28748940
3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109055977
N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide
CID 123855665
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224277
N-cyclopentyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973288
N-cyclohexyl-5-imidazo[1,2-a]pyrazin-3-yl-1H-pyrrole-3-carboxamide
CID 146638308
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479

Frequently Asked Questions

What is the IUPAC name of cyclohexane;N-cyclohexyl-3-(6-oxo-5H-imidazo[1,2-b]pyridazin-3-yl)benzamide?
The IUPAC name of cyclohexane;N-cyclohexyl-3-(6-oxo-5H-imidazo[1,2-b]pyridazin-3-yl)benzamide (CID 143597830) is cyclohexane;N-cyclohexyl-3-(6-oxo-5H-imidazo[1,2-b]pyridazin-3-yl)benzamide.
What is the SMILES notation for cyclohexane;N-cyclohexyl-3-(6-oxo-5H-imidazo[1,2-b]pyridazin-3-yl)benzamide?
The canonical SMILES for cyclohexane;N-cyclohexyl-3-(6-oxo-5H-imidazo[1,2-b]pyridazin-3-yl)benzamide is C1CCCCC1.O=C(NC1CCCCC1)c1cccc(-c2cnc3ccc(=O)[nH]n23)c1.
What is the InChIKey of cyclohexane;N-cyclohexyl-3-(6-oxo-5H-imidazo[1,2-b]pyridazin-3-yl)benzamide?
The InChIKey is AOXCYSYCIZNNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2.C6H12/c24-18-10-9-17-20-12-16(23(17)22-18)13-5-4-6-14(11-13)19(25)21-15-7-2-1-3-8-15;1-2-4-6-5-3-1/h4-6,9-12,15H,1-3,7-8H2,(H,21,25)(H,22,24);1-6H2.
What are the key properties of cyclohexane;N-cyclohexyl-3-(6-oxo-5H-imidazo[1,2-b]pyridazin-3-yl)benzamide?
cyclohexane;N-cyclohexyl-3-(6-oxo-5H-imidazo[1,2-b]pyridazin-3-yl)benzamide has a molecular weight of 420.56 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;N-cyclohexyl-3-(6-oxo-5H-imidazo[1,2-b]pyridazin-3-yl)benzamide is sourced from PubChem (CID 143597830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).