N-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C20H22N4O3 — CID 176506207

IUPACN-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NC2CCC(Oc3cccc4cnccc34)CC2)=NN1
InChIInChI=1S/C20H22N4O3/c25-19-9-8-17(23-24-19)20(26)22-14-4-6-15(7-5-14)27-18-3-1-2-13-12-21-11-10-16(13)18/h1-3,10-12,14-15H,4-9H2,(H,22,26)(H,24,25)
InChIKeyBXUBJSFOYDAAQR-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.31
Rot. Bonds4

About N-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 176506207) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID176506207
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NC2CCC(Oc3cccc4cnccc34)CC2)=NN1
InChIInChI=1S/C20H22N4O3/c25-19-9-8-17(23-24-19)20(26)22-14-4-6-15(7-5-14)27-18-3-1-2-13-12-21-11-10-16(13)18/h1-3,10-12,14-15H,4-9H2,(H,22,26)(H,24,25)
InChIKeyBXUBJSFOYDAAQR-UHFFFAOYSA-N
XLogP2.31
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 79395899
N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397609
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 167981415
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
6-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108748545
3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43420181
1-cyclopropyl-3-isoquinolin-5-ylthiourea
CID 27012724
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid
CID 63747208
N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine
CID 103081674
5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline
CID 158059223
N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934176
N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 176504888

Frequently Asked Questions

What is the IUPAC name of N-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 176506207) is N-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NC2CCC(Oc3cccc4cnccc34)CC2)=NN1.
What is the InChIKey of N-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is BXUBJSFOYDAAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-19-9-8-17(23-24-19)20(26)22-14-4-6-15(7-5-14)27-18-3-1-2-13-12-21-11-10-16(13)18/h1-3,10-12,14-15H,4-9H2,(H,22,26)(H,24,25).
What are the key properties of N-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-isoquinolin-5-yloxycyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 176506207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).