N-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide

C21H30N4O2 — CID 4177567

IUPACN-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCCCCN(C)CCNC(=O)CCn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C21H30N4O2/c1-4-5-14-24(3)16-13-22-20(26)12-15-25-21(27)11-10-19(23-25)18-8-6-17(2)7-9-18/h6-11H,4-5,12-16H2,1-3H3,(H,22,26)
InChIKeyPWZVNMAUMLFDIM-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.46
Rot. Bonds10

About N-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide

N-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 4177567) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID4177567
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCCCCN(C)CCNC(=O)CCn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C21H30N4O2/c1-4-5-14-24(3)16-13-22-20(26)12-15-25-21(27)11-10-19(23-25)18-8-6-17(2)7-9-18/h6-11H,4-5,12-16H2,1-3H3,(H,22,26)
InChIKeyPWZVNMAUMLFDIM-UHFFFAOYSA-N
XLogP2.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide (CID 4177567) is N-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide is CCCCN(C)CCNC(=O)CCn1nc(-c2ccc(C)cc2)ccc1=O.
What is the InChIKey of N-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is PWZVNMAUMLFDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-4-5-14-24(3)16-13-22-20(26)12-15-25-21(27)11-10-19(23-25)18-8-6-17(2)7-9-18/h6-11H,4-5,12-16H2,1-3H3,(H,22,26).
What are the key properties of N-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
N-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 370.50 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 4177567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).