N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide

C22H23N5O2 — CID 133382565

IUPACN-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(NC(c2ccccc2)c2ccccn2)nn1
InChIInChI=1S/C22H23N5O2/c28-22(24-17-11-14-29-15-12-17)19-9-10-20(27-26-19)25-21(16-6-2-1-3-7-16)18-8-4-5-13-23-18/h1-10,13,17,21H,11-12,14-15H2,(H,24,28)(H,25,27)
InChIKeySURFKWCFDAPHSJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.98
Rot. Bonds6

About N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide

N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide (PubChem CID 133382565) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide
PubChem CID133382565
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(NC(c2ccccc2)c2ccccn2)nn1
InChIInChI=1S/C22H23N5O2/c28-22(24-17-11-14-29-15-12-17)19-9-10-20(27-26-19)25-21(16-6-2-1-3-7-16)18-8-4-5-13-23-18/h1-10,13,17,21H,11-12,14-15H2,(H,24,28)(H,25,27)
InChIKeySURFKWCFDAPHSJ-UHFFFAOYSA-N
XLogP2.98
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133416851
6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133395276
N-(oxan-4-yl)-6-[1-(oxolan-2-yl)propylamino]pyridazine-3-carboxamide
CID 133417973
6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide
CID 133364201
N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120685
6-[2-(2-methoxyphenyl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382556
N-methyl-6-(1-pyridin-2-ylethylamino)pyridazine-3-carboxamide
CID 79005908
6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133412817
6-[(1-methylbenzimidazol-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133383519
6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133381708
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
N-cyclopentyl-6-(2-morpholin-4-ylanilino)pyridazine-3-carboxamide
CID 109112411

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide?
The IUPAC name of N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide (CID 133382565) is N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide is O=C(NC1CCOCC1)c1ccc(NC(c2ccccc2)c2ccccn2)nn1.
What is the InChIKey of N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide?
The InChIKey is SURFKWCFDAPHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-22(24-17-11-14-29-15-12-17)19-9-10-20(27-26-19)25-21(16-6-2-1-3-7-16)18-8-4-5-13-23-18/h1-10,13,17,21H,11-12,14-15H2,(H,24,28)(H,25,27).
What are the key properties of N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide?
N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 133382565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).