N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide

C13H21N5O3 — CID 20793803

IUPACN-[2-(methylamino)ethyl]-N-(2-oxopropyl)-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide
SMILESCNCCN(CC(C)=O)C(=O)CCNc1ccc(=O)[nH]n1
InChIInChI=1S/C13H21N5O3/c1-10(19)9-18(8-7-14-2)13(21)5-6-15-11-3-4-12(20)17-16-11/h3-4,14H,5-9H2,1-2H3,(H,15,16)(H,17,20)
InChIKeyZFVAPMBJOYLTAC-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.79
Rot. Bonds9

About N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide

N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide (PubChem CID 20793803) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-N-(2-oxopropyl)-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide
PubChem CID20793803
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC NameN-[2-(methylamino)ethyl]-N-(2-oxopropyl)-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide
SMILESCNCCN(CC(C)=O)C(=O)CCNc1ccc(=O)[nH]n1
InChIInChI=1S/C13H21N5O3/c1-10(19)9-18(8-7-14-2)13(21)5-6-15-11-3-4-12(20)17-16-11/h3-4,14H,5-9H2,1-2H3,(H,15,16)(H,17,20)
InChIKeyZFVAPMBJOYLTAC-UHFFFAOYSA-N
XLogP-0.79
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide?
The IUPAC name of N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide (CID 20793803) is N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide is CNCCN(CC(C)=O)C(=O)CCNc1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide?
The InChIKey is ZFVAPMBJOYLTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-10(19)9-18(8-7-14-2)13(21)5-6-15-11-3-4-12(20)17-16-11/h3-4,14H,5-9H2,1-2H3,(H,15,16)(H,17,20).
What are the key properties of N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide?
N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide has a molecular weight of 295.34 g/mol, XLogP of -0.79, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide is sourced from PubChem (CID 20793803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).