N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide

C17H14ClN3O3 — CID 121076032

IUPACN-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C17H14ClN3O3/c1-11(17(23)19-13-5-2-4-12(18)10-13)21-16(22)8-7-14(20-21)15-6-3-9-24-15/h2-11H,1H3,(H,19,23)
InChIKeyUCMOVDYRFJNEAG-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.36
Rot. Bonds4

About N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide

N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 121076032) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
PubChem CID121076032
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C17H14ClN3O3/c1-11(17(23)19-13-5-2-4-12(18)10-13)21-16(22)8-7-14(20-21)15-6-3-9-24-15/h2-11H,1H3,(H,19,23)
InChIKeyUCMOVDYRFJNEAG-UHFFFAOYSA-N
XLogP3.36
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide (CID 121076032) is N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide is CC(C(=O)Nc1cccc(Cl)c1)n1nc(-c2ccco2)ccc1=O.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is UCMOVDYRFJNEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-11(17(23)19-13-5-2-4-12(18)10-13)21-16(22)8-7-14(20-21)15-6-3-9-24-15/h2-11H,1H3,(H,19,23).
What are the key properties of N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide?
N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 343.77 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 121076032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).