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

C18H22ClN3O2 — CID 5046308

IUPAC3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C18H22ClN3O2/c1-13(2)9-11-20-17(23)10-12-22-18(24)8-7-16(21-22)14-3-5-15(19)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,20,23)
InChIKeyUHCBZEOUGVUFKR-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.12
Rot. Bonds7

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

3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)propanamide (PubChem CID 5046308) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)propanamide
PubChem CID5046308
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C18H22ClN3O2/c1-13(2)9-11-20-17(23)10-12-22-18(24)8-7-16(21-22)14-3-5-15(19)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,20,23)
InChIKeyUHCBZEOUGVUFKR-UHFFFAOYSA-N
XLogP3.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-methylacetamide
CID 4422323
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-(3-methylbutyl)acetamide
CID 16034816
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-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3242957
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-(4-Chloro-benzylidene-hydrazinocarbonyl)-N-cyclohexyl-acetamide
CID 9563178
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-[3-(diisobutylamino)propyl]acetamide
CID 16034255
N-{3-[butyl(methyl)amino]propyl}-2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 20968222
2-(4-chlorobenzyl)-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]azepin-3(5H)-one
CID 45484673

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)propanamide (CID 5046308) is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)propanamide?
The InChIKey is UHCBZEOUGVUFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-13(2)9-11-20-17(23)10-12-22-18(24)8-7-16(21-22)14-3-5-15(19)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,20,23).
What are the key properties of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)propanamide?
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)propanamide has a molecular weight of 347.85 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 5046308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).