6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide

C18H22N4O2 — CID 109115053

IUPAC6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
SMILESCc1cc(C)cc(Nc2ccc(C(=O)NCC3CCCO3)nn2)c1
InChIInChI=1S/C18H22N4O2/c1-12-8-13(2)10-14(9-12)20-17-6-5-16(21-22-17)18(23)19-11-15-4-3-7-24-15/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeySYCLXXPPQKKBHL-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.75
Rot. Bonds5

About 6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide

6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109115053) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID109115053
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
SMILESCc1cc(C)cc(Nc2ccc(C(=O)NCC3CCCO3)nn2)c1
InChIInChI=1S/C18H22N4O2/c1-12-8-13(2)10-14(9-12)20-17-6-5-16(21-22-17)18(23)19-11-15-4-3-7-24-15/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeySYCLXXPPQKKBHL-UHFFFAOYSA-N
XLogP2.75
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115068
N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114879
N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109115094
6-(ethylamino)-N-(oxan-2-ylmethyl)pyridazine-3-carboxamide
CID 62181516
6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115064
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
CID 109109214
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109113900
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide (CID 109115053) is 6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide is Cc1cc(C)cc(Nc2ccc(C(=O)NCC3CCCO3)nn2)c1.
What is the InChIKey of 6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is SYCLXXPPQKKBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-8-13(2)10-14(9-12)20-17-6-5-16(21-22-17)18(23)19-11-15-4-3-7-24-15/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109115053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).