1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide

C17H21N3O3 — CID 35019256

IUPAC1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2ccc(C(C)C)cc2)ccc1=O
InChIInChI=1S/C17H21N3O3/c1-12(2)13-4-6-14(7-5-13)18-17(22)15-8-9-16(21)20(19-15)10-11-23-3/h4-9,12H,10-11H2,1-3H3,(H,18,22)
InChIKeyYASZCICPJCFFOB-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.27
Rot. Bonds6

About 1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide

1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide (PubChem CID 35019256) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
PubChem CID35019256
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2ccc(C(C)C)cc2)ccc1=O
InChIInChI=1S/C17H21N3O3/c1-12(2)13-4-6-14(7-5-13)18-17(22)15-8-9-16(21)20(19-15)10-11-23-3/h4-9,12H,10-11H2,1-3H3,(H,18,22)
InChIKeyYASZCICPJCFFOB-UHFFFAOYSA-N
XLogP2.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
1-(2-methoxyethyl)-N-(4-methylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 31796636
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 119527189
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24537228
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 37400276
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
N-[4-(benzimidazol-1-yl)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24512638
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 61247357
(2S)-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119362071
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide (CID 35019256) is 1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide is COCCn1nc(C(=O)Nc2ccc(C(C)C)cc2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is YASZCICPJCFFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(2)13-4-6-14(7-5-13)18-17(22)15-8-9-16(21)20(19-15)10-11-23-3/h4-9,12H,10-11H2,1-3H3,(H,18,22).
What are the key properties of 1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 35019256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).