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

C17H20ClN3O2 — CID 5046316

IUPACN-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCCCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C17H20ClN3O2/c1-2-3-11-19-16(22)10-12-21-17(23)9-8-15(20-21)13-4-6-14(18)7-5-13/h4-9H,2-3,10-12H2,1H3,(H,19,22)
InChIKeyFKMAMVXDWXYEKJ-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.87
Rot. Bonds7

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

N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 5046316) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID5046316
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCCCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C17H20ClN3O2/c1-2-3-11-19-16(22)10-12-21-17(23)9-8-15(20-21)13-4-6-14(18)7-5-13/h4-9H,2-3,10-12H2,1H3,(H,19,22)
InChIKeyFKMAMVXDWXYEKJ-UHFFFAOYSA-N
XLogP2.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide (CID 5046316) is N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide is CCCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is FKMAMVXDWXYEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-2-3-11-19-16(22)10-12-21-17(23)9-8-15(20-21)13-4-6-14(18)7-5-13/h4-9H,2-3,10-12H2,1H3,(H,19,22).
What are the key properties of N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide?
N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 333.82 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 5046316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).