N-[2-(dimethylamino)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide

C19H26N4O2 — CID 51366079

IUPACN-[2-(dimethylamino)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(-c2ccc(=O)n(CCC(=O)NCCN(C)C)n2)cc1C
InChIInChI=1S/C19H26N4O2/c1-14-5-6-16(13-15(14)2)17-7-8-19(25)23(21-17)11-9-18(24)20-10-12-22(3)4/h5-8,13H,9-12H2,1-4H3,(H,20,24)
InChIKeyWMXIFRLJMQVRDH-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.60
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide

N-[2-(dimethylamino)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 51366079) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID51366079
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(-c2ccc(=O)n(CCC(=O)NCCN(C)C)n2)cc1C
InChIInChI=1S/C19H26N4O2/c1-14-5-6-16(13-15(14)2)17-7-8-19(25)23(21-17)11-9-18(24)20-10-12-22(3)4/h5-8,13H,9-12H2,1-4H3,(H,20,24)
InChIKeyWMXIFRLJMQVRDH-UHFFFAOYSA-N
XLogP1.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide (CID 51366079) is N-[2-(dimethylamino)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide is Cc1ccc(-c2ccc(=O)n(CCC(=O)NCCN(C)C)n2)cc1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is WMXIFRLJMQVRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-5-6-16(13-15(14)2)17-7-8-19(25)23(21-17)11-9-18(24)20-10-12-22(3)4/h5-8,13H,9-12H2,1-4H3,(H,20,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
N-[2-(dimethylamino)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 51366079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).