6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide

C18H21N3O3 — CID 133381840

IUPAC6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCc1ccc(C)c(Oc2ccc(C(=O)NC3CCOCC3)nn2)c1
InChIInChI=1S/C18H21N3O3/c1-12-3-4-13(2)16(11-12)24-17-6-5-15(20-21-17)18(22)19-14-7-9-23-10-8-14/h3-6,11,14H,7-10H2,1-2H3,(H,19,22)
InChIKeyQYXCLXTVDNMLMS-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.79
Rot. Bonds4

About 6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide

6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide (PubChem CID 133381840) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide
PubChem CID133381840
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCc1ccc(C)c(Oc2ccc(C(=O)NC3CCOCC3)nn2)c1
InChIInChI=1S/C18H21N3O3/c1-12-3-4-13(2)16(11-12)24-17-6-5-15(20-21-17)18(22)19-14-7-9-23-10-8-14/h3-6,11,14H,7-10H2,1-2H3,(H,19,22)
InChIKeyQYXCLXTVDNMLMS-UHFFFAOYSA-N
XLogP2.79
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133365943
6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133381853
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133381848
N-cycloheptyl-6-methoxypyridazine-3-carboxamide
CID 90509309
N-cyclohexyl-6-methoxypyridazine-3-carboxamide
CID 90509273
N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine
CID 63099519
6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 134588264
N-cyclohexyl-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
CID 109113061
ethane;6-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 145449183
6-[2-(2-methoxyphenyl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382556
6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133412817

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide (CID 133381840) is 6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide is Cc1ccc(C)c(Oc2ccc(C(=O)NC3CCOCC3)nn2)c1.
What is the InChIKey of 6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide?
The InChIKey is QYXCLXTVDNMLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-3-4-13(2)16(11-12)24-17-6-5-15(20-21-17)18(22)19-14-7-9-23-10-8-14/h3-6,11,14H,7-10H2,1-2H3,(H,19,22).
What are the key properties of 6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide?
6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenoxy)-N-(oxan-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 133381840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).