6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide

C17H27N5O2 — CID 133382089

IUPAC6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCCN1CCCC1CNc1ccc(C(=O)NC2CCOCC2)nn1
InChIInChI=1S/C17H27N5O2/c1-2-22-9-3-4-14(22)12-18-16-6-5-15(20-21-16)17(23)19-13-7-10-24-11-8-13/h5-6,13-14H,2-4,7-12H2,1H3,(H,18,21)(H,19,23)
InChIKeyLDGWNKHCHQUMKL-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.28
Rot. Bonds6

About 6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide

6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide (PubChem CID 133382089) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
PubChem CID133382089
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCCN1CCCC1CNc1ccc(C(=O)NC2CCOCC2)nn1
InChIInChI=1S/C17H27N5O2/c1-2-22-9-3-4-14(22)12-18-16-6-5-15(20-21-16)17(23)19-13-7-10-24-11-8-13/h5-6,13-14H,2-4,7-12H2,1H3,(H,18,21)(H,19,23)
InChIKeyLDGWNKHCHQUMKL-UHFFFAOYSA-N
XLogP1.28
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide
CID 62165895
N-(oxan-4-yl)-6-[1-(oxolan-2-yl)propylamino]pyridazine-3-carboxamide
CID 133417973
6-(ethylamino)-N-(1-ethylpiperidin-3-yl)pyridazine-3-carboxamide
CID 62173485
N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide
CID 133383535
N-cyclohexyl-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109112985
6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133343187
N-cycloheptyl-6-(ethylamino)pyridazine-3-carboxamide
CID 55042572
6-[2-(2-methoxyphenyl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382556
6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133381708
N-cyclohexyl-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109112983
6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133406333
6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133395276

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide (CID 133382089) is 6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide is CCN1CCCC1CNc1ccc(C(=O)NC2CCOCC2)nn1.
What is the InChIKey of 6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The InChIKey is LDGWNKHCHQUMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-2-22-9-3-4-14(22)12-18-16-6-5-15(20-21-16)17(23)19-13-7-10-24-11-8-13/h5-6,13-14H,2-4,7-12H2,1H3,(H,18,21)(H,19,23).
What are the key properties of 6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 133382089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).