N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide

C20H26N4O2 — CID 113042641

IUPACN-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide
SMILESCOc1ccccc1CCNc1ccc(NC(=O)C2CCCCC2)nn1
InChIInChI=1S/C20H26N4O2/c1-26-17-10-6-5-7-15(17)13-14-21-18-11-12-19(24-23-18)22-20(25)16-8-3-2-4-9-16/h5-7,10-12,16H,2-4,8-9,13-14H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyLBMQLSPQOJCMRW-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.66
Rot. Bonds7

About N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide

N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide (PubChem CID 113042641) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide
PubChem CID113042641
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide
SMILESCOc1ccccc1CCNc1ccc(NC(=O)C2CCCCC2)nn1
InChIInChI=1S/C20H26N4O2/c1-26-17-10-6-5-7-15(17)13-14-21-18-11-12-19(24-23-18)22-20(25)16-8-3-2-4-9-16/h5-7,10-12,16H,2-4,8-9,13-14H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyLBMQLSPQOJCMRW-UHFFFAOYSA-N
XLogP3.66
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]cyclohexanecarboxamide
CID 113041668
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113042675
N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113044083
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042664
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027369
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide
CID 113041669
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042762
6-[2-(2-methoxyphenyl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382556
5-(cyclopentanecarbonylamino)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 51999682
N-cyclohexyl-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
CID 109274671
N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028985
N-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122252

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide (CID 113042641) is N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide is COc1ccccc1CCNc1ccc(NC(=O)C2CCCCC2)nn1.
What is the InChIKey of N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide?
The InChIKey is LBMQLSPQOJCMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-17-10-6-5-7-15(17)13-14-21-18-11-12-19(24-23-18)22-20(25)16-8-3-2-4-9-16/h5-7,10-12,16H,2-4,8-9,13-14H2,1H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide?
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 113042641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).