3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide

C17H20ClN3O3 — CID 5046318

IUPAC3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C17H20ClN3O3/c1-24-12-2-10-19-16(22)9-11-21-17(23)8-7-15(20-21)13-3-5-14(18)6-4-13/h3-8H,2,9-12H2,1H3,(H,19,22)
InChIKeyNSJPSGJOCBQEPE-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.11
Rot. Bonds8

About 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide

3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 5046318) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide
PubChem CID5046318
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C17H20ClN3O3/c1-24-12-2-10-19-16(22)9-11-21-17(23)8-7-15(20-21)13-3-5-14(18)6-4-13/h3-8H,2,9-12H2,1H3,(H,19,22)
InChIKeyNSJPSGJOCBQEPE-UHFFFAOYSA-N
XLogP2.11
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-methylacetamide
CID 4422323
N-butyl-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3239462
N-[3-(azepan-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 3240872
N-{3-[butyl(methyl)amino]propyl}-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3243725
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(diethylamino)propyl]propanamide
CID 5046060
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(1-phenylethyl)propanamide
CID 5046315
2-[3-(4-Chloro-phenyl)-6-oxo-6H-pyridazin-1-yl]-N-[1,4]dioxan-2-ylmethyl-acetamide
CID 24792340
N-(2-methoxyethyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanamide
CID 3550183
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 3617297
N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]propanamide
CID 5046316
N-isopropyl-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 5077402
2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 3236867

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide (CID 5046318) is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is NSJPSGJOCBQEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-24-12-2-10-19-16(22)9-11-21-17(23)8-7-15(20-21)13-3-5-14(18)6-4-13/h3-8H,2,9-12H2,1H3,(H,19,22).
What are the key properties of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide?
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 349.82 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 5046318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).