N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide

C18H29N5O2 — CID 133383535

IUPACN-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide
SMILESCCCN1CCC(Nc2ccc(C(=O)NC3CCOCC3)nn2)CC1
InChIInChI=1S/C18H29N5O2/c1-2-9-23-10-5-14(6-11-23)19-17-4-3-16(21-22-17)18(24)20-15-7-12-25-13-8-15/h3-4,14-15H,2,5-13H2,1H3,(H,19,22)(H,20,24)
InChIKeyAJGJDJGLHFYXEV-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.67
Rot. Bonds6

About N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide

N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide (PubChem CID 133383535) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide
PubChem CID133383535
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide
SMILESCCCN1CCC(Nc2ccc(C(=O)NC3CCOCC3)nn2)CC1
InChIInChI=1S/C18H29N5O2/c1-2-9-23-10-5-14(6-11-23)19-17-4-3-16(21-22-17)18(24)20-15-7-12-25-13-8-15/h3-4,14-15H,2,5-13H2,1H3,(H,19,22)(H,20,24)
InChIKeyAJGJDJGLHFYXEV-UHFFFAOYSA-N
XLogP1.67
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1-ethylpiperidin-4-yl)amino]-N-methylpyridazine-3-carboxamide
CID 79210349
N-cyclohexyl-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109112985
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382089
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
6-(cyclopropylamino)-N-propylpyridazine-3-carboxamide
CID 109109200
6-(cycloheptylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110063
1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide
CID 128995752
3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369393
6-(2-morpholin-4-ylethylamino)-N-pentylpyridazine-3-carboxamide
CID 109115555
N-(oxan-4-yl)-6-[1-(oxolan-2-yl)propylamino]pyridazine-3-carboxamide
CID 133417973
6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133381708

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide (CID 133383535) is N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide is CCCN1CCC(Nc2ccc(C(=O)NC3CCOCC3)nn2)CC1.
What is the InChIKey of N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide?
The InChIKey is AJGJDJGLHFYXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-2-9-23-10-5-14(6-11-23)19-17-4-3-16(21-22-17)18(24)20-15-7-12-25-13-8-15/h3-4,14-15H,2,5-13H2,1H3,(H,19,22)(H,20,24).
What are the key properties of N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide?
N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.67, 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-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 133383535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).