N-[3-[butyl(methyl)amino]propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide

C21H30N4O2 — CID 3243725

IUPACN-[3-[butyl(methyl)amino]propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
SMILESCCCCN(C)CCCNC(=O)CCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C21H30N4O2/c1-3-4-15-24(2)16-8-14-22-20(26)13-17-25-21(27)12-11-19(23-25)18-9-6-5-7-10-18/h5-7,9-12H,3-4,8,13-17H2,1-2H3,(H,22,26)
InChIKeyDEHWHIFFWLIQGM-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.54
Rot. Bonds11

About N-[3-[butyl(methyl)amino]propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide

N-[3-[butyl(methyl)amino]propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide (PubChem CID 3243725) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[3-[butyl(methyl)amino]propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-[butyl(methyl)amino]propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
PubChem CID3243725
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[3-[butyl(methyl)amino]propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
SMILESCCCCN(C)CCCNC(=O)CCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C21H30N4O2/c1-3-4-15-24(2)16-8-14-22-20(26)13-17-25-21(27)12-11-19(23-25)18-9-6-5-7-10-18/h5-7,9-12H,3-4,8,13-17H2,1-2H3,(H,22,26)
InChIKeyDEHWHIFFWLIQGM-UHFFFAOYSA-N
XLogP2.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.54
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[butyl(methyl)amino]propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The IUPAC name of N-[3-[butyl(methyl)amino]propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide (CID 3243725) is N-[3-[butyl(methyl)amino]propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-[3-[butyl(methyl)amino]propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The canonical SMILES for N-[3-[butyl(methyl)amino]propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide is CCCCN(C)CCCNC(=O)CCn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-[3-[butyl(methyl)amino]propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The InChIKey is DEHWHIFFWLIQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-3-4-15-24(2)16-8-14-22-20(26)13-17-25-21(27)12-11-19(23-25)18-9-6-5-7-10-18/h5-7,9-12H,3-4,8,13-17H2,1-2H3,(H,22,26).
What are the key properties of N-[3-[butyl(methyl)amino]propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
N-[3-[butyl(methyl)amino]propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide has a molecular weight of 370.50 g/mol, XLogP of 2.54, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butyl(methyl)amino]propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide is sourced from PubChem (CID 3243725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).