N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide

C18H19N5O2 — CID 109128180

IUPACN-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Nc3ccccc3C(C)C)nn2)no1
InChIInChI=1S/C18H19N5O2/c1-11(2)13-6-4-5-7-14(13)19-16-9-8-15(21-22-16)18(24)20-17-10-12(3)25-23-17/h4-11H,1-3H3,(H,19,22)(H,20,23,24)
InChIKeyGCSVLYUFCZSYIO-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.89
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide (PubChem CID 109128180) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
PubChem CID109128180
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Nc3ccccc3C(C)C)nn2)no1
InChIInChI=1S/C18H19N5O2/c1-11(2)13-6-4-5-7-14(13)19-16-9-8-15(21-22-16)18(24)20-17-10-12(3)25-23-17/h4-11H,1-3H3,(H,19,22)(H,20,23,24)
InChIKeyGCSVLYUFCZSYIO-UHFFFAOYSA-N
XLogP3.89
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109129623
6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109128181
N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109130085
methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate
CID 109129945
N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128178
6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109128192
6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109124832
6-hydrazinyl-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 62236502
N-(furan-2-ylmethyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109117595
4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046923
6-[2,6-di(propan-2-yl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359764
methyl 4-[[6-[(2-propan-2-ylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128195

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide (CID 109128180) is N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide is Cc1cc(NC(=O)c2ccc(Nc3ccccc3C(C)C)nn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide?
The InChIKey is GCSVLYUFCZSYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11(2)13-6-4-5-7-14(13)19-16-9-8-15(21-22-16)18(24)20-17-10-12(3)25-23-17/h4-11H,1-3H3,(H,19,22)(H,20,23,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).