6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide

C19H26N4O2S — CID 133412817

IUPAC6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCCc1sc(C(C)Nc2ccc(C(=O)NC3CCOCC3)nn2)cc1C
InChIInChI=1S/C19H26N4O2S/c1-4-16-12(2)11-17(26-16)13(3)20-18-6-5-15(22-23-18)19(24)21-14-7-9-25-10-8-14/h5-6,11,13-14H,4,7-10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyRBBYMSKYOXLPEJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.49
Rot. Bonds6

About 6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide

6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide (PubChem CID 133412817) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
PubChem CID133412817
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCCc1sc(C(C)Nc2ccc(C(=O)NC3CCOCC3)nn2)cc1C
InChIInChI=1S/C19H26N4O2S/c1-4-16-12(2)11-17(26-16)13(3)20-18-6-5-15(22-23-18)19(24)21-14-7-9-25-10-8-14/h5-6,11,13-14H,4,7-10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyRBBYMSKYOXLPEJ-UHFFFAOYSA-N
XLogP3.49
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxan-4-yl)-6-[1-(oxolan-2-yl)propylamino]pyridazine-3-carboxamide
CID 133417973
6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133416851
6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133381848
6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133406333
6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133381708
6-(butan-2-ylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109111349
6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382089
N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide
CID 133383535
N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide
CID 133382565
6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133395276
6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382461
6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133381840

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide (CID 133412817) is 6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide is CCc1sc(C(C)Nc2ccc(C(=O)NC3CCOCC3)nn2)cc1C.
What is the InChIKey of 6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The InChIKey is RBBYMSKYOXLPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-4-16-12(2)11-17(26-16)13(3)20-18-6-5-15(22-23-18)19(24)21-14-7-9-25-10-8-14/h5-6,11,13-14H,4,7-10H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 133412817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).