N-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide

C13H18ClN3O3 — CID 167134780

IUPACN-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(Cl)nn([C@@H]2CCOC2)c1=O
InChIInChI=1S/C13H18ClN3O3/c1-13(2,3)12(19)15-9-6-10(14)16-17(11(9)18)8-4-5-20-7-8/h6,8H,4-5,7H2,1-3H3,(H,15,19)/t8-/m1/s1
InChIKeyHNNKFCCVTQPEAV-MRVPVSSYSA-N
MW299.76 g/mol
LogP1.84
Rot. Bonds2

About N-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide

N-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide (PubChem CID 167134780) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide
PubChem CID167134780
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC NameN-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(Cl)nn([C@@H]2CCOC2)c1=O
InChIInChI=1S/C13H18ClN3O3/c1-13(2,3)12(19)15-9-6-10(14)16-17(11(9)18)8-4-5-20-7-8/h6,8H,4-5,7H2,1-3H3,(H,15,19)/t8-/m1/s1
InChIKeyHNNKFCCVTQPEAV-MRVPVSSYSA-N
XLogP1.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide (CID 167134780) is N-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(Cl)nn([C@@H]2CCOC2)c1=O.
What is the InChIKey of N-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is HNNKFCCVTQPEAV-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-13(2,3)12(19)15-9-6-10(14)16-17(11(9)18)8-4-5-20-7-8/h6,8H,4-5,7H2,1-3H3,(H,15,19)/t8-/m1/s1.
What are the key properties of N-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide?
N-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 299.76 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 167134780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).