N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide

C18H22N4O2 — CID 109114879

IUPACN-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(NCC3CCCO3)nn2)c1
InChIInChI=1S/C18H22N4O2/c1-12-8-13(2)10-14(9-12)20-18(23)16-5-6-17(22-21-16)19-11-15-4-3-7-24-15/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyDSKMBUKDEUTFAK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.94
Rot. Bonds5

About N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide

N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109114879) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109114879
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(NCC3CCCO3)nn2)c1
InChIInChI=1S/C18H22N4O2/c1-12-8-13(2)10-14(9-12)20-18(23)16-5-6-17(22-21-16)19-11-15-4-3-7-24-15/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyDSKMBUKDEUTFAK-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114870
6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115053
6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
CID 109109214
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
N-cyclohexyl-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109112983
N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109113900
6-(cyclopropylamino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109109890
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
6-(ethylamino)-N-(oxan-2-ylmethyl)pyridazine-3-carboxamide
CID 62181516
N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide
CID 109114873
N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114812
N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853553

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide (CID 109114879) is N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc(NCC3CCCO3)nn2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is DSKMBUKDEUTFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-8-13(2)10-14(9-12)20-18(23)16-5-6-17(22-21-16)19-11-15-4-3-7-24-15/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109114879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).