N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-1-propylpyridazine-3-carboxamide

C15H13F2N3O4 — CID 18098110

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccc1=O
InChIInChI=1S/C15H13F2N3O4/c1-2-7-20-13(21)6-4-10(19-20)14(22)18-9-3-5-11-12(8-9)24-15(16,17)23-11/h3-6,8H,2,7H2,1H3,(H,18,22)
InChIKeySVOOOHYJIBAJPO-UHFFFAOYSA-N
MW337.28 g/mol
LogP2.23
Rot. Bonds4

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 18098110) has the molecular formula C15H13F2N3O4 and a molecular weight of 337.28 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID18098110
Molecular FormulaC15H13F2N3O4
Molecular Weight337.28 g/mol
Exact Mass337.09
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccc1=O
InChIInChI=1S/C15H13F2N3O4/c1-2-7-20-13(21)6-4-10(19-20)14(22)18-9-3-5-11-12(8-9)24-15(16,17)23-11/h3-6,8H,2,7H2,1H3,(H,18,22)
InChIKeySVOOOHYJIBAJPO-UHFFFAOYSA-N
XLogP2.23
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 18098110) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccc1=O.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is SVOOOHYJIBAJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O4/c1-2-7-20-13(21)6-4-10(19-20)14(22)18-9-3-5-11-12(8-9)24-15(16,17)23-11/h3-6,8H,2,7H2,1H3,(H,18,22).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 337.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 18098110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).