N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide

C20H17FN4O3 — CID 113050323

IUPACN-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1ccc(Nc2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C20H17FN4O3/c21-14-3-1-2-13(10-14)11-20(26)23-19-7-6-18(24-25-19)22-15-4-5-16-17(12-15)28-9-8-27-16/h1-7,10,12H,8-9,11H2,(H,22,24)(H,23,25,26)
InChIKeyMVSBDHNMWVDCBN-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.31
Rot. Bonds5

About N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide

N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide (PubChem CID 113050323) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
PubChem CID113050323
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC NameN-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1ccc(Nc2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C20H17FN4O3/c21-14-3-1-2-13(10-14)11-20(26)23-19-7-6-18(24-25-19)22-15-4-5-16-17(12-15)28-9-8-27-16/h1-7,10,12H,8-9,11H2,(H,22,24)(H,23,25,26)
InChIKeyMVSBDHNMWVDCBN-UHFFFAOYSA-N
XLogP3.31
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide (CID 113050323) is N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)Nc1ccc(Nc2ccc3c(c2)OCCO3)nn1.
What is the InChIKey of N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide?
The InChIKey is MVSBDHNMWVDCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c21-14-3-1-2-13(10-14)11-20(26)23-19-7-6-18(24-25-19)22-15-4-5-16-17(12-15)28-9-8-27-16/h1-7,10,12H,8-9,11H2,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide?
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide has a molecular weight of 380.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113050323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).