N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide

C18H20ClN3O4 — CID 55467143

IUPACN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)ccc1=O
InChIInChI=1S/C18H20ClN3O4/c1-2-7-22-16(23)4-3-14(21-22)18(24)20-6-5-12-10-13(19)17-15(11-12)25-8-9-26-17/h3-4,10-11H,2,5-9H2,1H3,(H,20,24)
InChIKeyICBIWQVIUYKQRL-UHFFFAOYSA-N
MW377.83 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 55467143) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID55467143
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC NameN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)ccc1=O
InChIInChI=1S/C18H20ClN3O4/c1-2-7-22-16(23)4-3-14(21-22)18(24)20-6-5-12-10-13(19)17-15(11-12)25-8-9-26-17/h3-4,10-11H,2,5-9H2,1H3,(H,20,24)
InChIKeyICBIWQVIUYKQRL-UHFFFAOYSA-N
XLogP2.05
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide with MolForge

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Related Compounds

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24630307
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]benzamide
CID 18126425
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 47088894
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55759258
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-methylsulfinylbenzamide
CID 51284084
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide
CID 38994894
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24615849
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 25473960
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(N-ethylanilino)acetamide
CID 55838690
2,4-dichloro-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-fluorobenzamide
CID 24564127
4-[2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]ethyl]benzoic acid
CID 71894223
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18117439

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 55467143) is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)ccc1=O.
What is the InChIKey of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is ICBIWQVIUYKQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-2-7-22-16(23)4-3-14(21-22)18(24)20-6-5-12-10-13(19)17-15(11-12)25-8-9-26-17/h3-4,10-11H,2,5-9H2,1H3,(H,20,24).
What are the key properties of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 55467143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).