6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide

C16H22N4O3S — CID 155963747

IUPAC6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CC(NC(=O)C3CCSCC3)C2)n[nH]1
InChIInChI=1S/C16H22N4O3S/c1-9-6-13(21)14(20-19-9)16(23)18-12-7-11(8-12)17-15(22)10-2-4-24-5-3-10/h6,10-12H,2-5,7-8H2,1H3,(H,17,22)(H,18,23)(H,19,21)
InChIKeyQWCFDMFOJDTBJX-UHFFFAOYSA-N
MW350.44 g/mol
LogP0.60
Rot. Bonds4

About 6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide

6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide (PubChem CID 155963747) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide
PubChem CID155963747
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CC(NC(=O)C3CCSCC3)C2)n[nH]1
InChIInChI=1S/C16H22N4O3S/c1-9-6-13(21)14(20-19-9)16(23)18-12-7-11(8-12)17-15(22)10-2-4-24-5-3-10/h6,10-12H,2-5,7-8H2,1H3,(H,17,22)(H,18,23)(H,19,21)
InChIKeyQWCFDMFOJDTBJX-UHFFFAOYSA-N
XLogP0.60
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide (CID 155963747) is 6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CC(NC(=O)C3CCSCC3)C2)n[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide?
The InChIKey is QWCFDMFOJDTBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-9-6-13(21)14(20-19-9)16(23)18-12-7-11(8-12)17-15(22)10-2-4-24-5-3-10/h6,10-12H,2-5,7-8H2,1H3,(H,17,22)(H,18,23)(H,19,21).
What are the key properties of 6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide?
6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 155963747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).