3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide

C17H17N5O2 — CID 113051729

IUPAC3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)nn2)no1
InChIInChI=1S/C17H17N5O2/c1-10-4-5-13(8-11(10)2)17(23)19-15-7-6-14(20-21-15)18-16-9-12(3)24-22-16/h4-9H,1-3H3,(H,18,20,22)(H,19,21,23)
InChIKeyXVALAQBRIWPTJB-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.39
Rot. Bonds4

About 3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide

3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide (PubChem CID 113051729) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
PubChem CID113051729
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)nn2)no1
InChIInChI=1S/C17H17N5O2/c1-10-4-5-13(8-11(10)2)17(23)19-15-7-6-14(20-21-15)18-16-9-12(3)24-22-16/h4-9H,1-3H3,(H,18,20,22)(H,19,21,23)
InChIKeyXVALAQBRIWPTJB-UHFFFAOYSA-N
XLogP3.39
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051727
4-methoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051725
3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051733
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113038336
2-ethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]butanamide
CID 113051710
5-(3,4-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109243004
1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109049837
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-(4-acetamidophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109164581
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113040656
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate
CID 109130228

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide (CID 113051729) is 3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide is Cc1cc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)nn2)no1.
What is the InChIKey of 3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide?
The InChIKey is XVALAQBRIWPTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-10-4-5-13(8-11(10)2)17(23)19-15-7-6-14(20-21-15)18-16-9-12(3)24-22-16/h4-9H,1-3H3,(H,18,20,22)(H,19,21,23).
What are the key properties of 3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide?
3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide has a molecular weight of 323.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113051729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).