2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide

C16H15Cl2N3O2 — CID 122278953

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1Cl)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C16H15Cl2N3O2/c1-9(16(23)19-13-4-2-3-11(17)15(13)18)21-14(22)8-7-12(20-21)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,19,23)
InChIKeyRJVDLSPDSGDEQS-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.63
Rot. Bonds4

About 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide (PubChem CID 122278953) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide
PubChem CID122278953
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1Cl)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C16H15Cl2N3O2/c1-9(16(23)19-13-4-2-3-11(17)15(13)18)21-14(22)8-7-12(20-21)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,19,23)
InChIKeyRJVDLSPDSGDEQS-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide (CID 122278953) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide is CC(C(=O)Nc1cccc(Cl)c1Cl)n1nc(C2CC2)ccc1=O.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide?
The InChIKey is RJVDLSPDSGDEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-9(16(23)19-13-4-2-3-11(17)15(13)18)21-14(22)8-7-12(20-21)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,19,23).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide has a molecular weight of 352.22 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 122278953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).