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

C13H22N6O3 — CID 90292867

IUPACN-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide
SMILESCNCCN(CC(=O)NC)C(=O)CCNc1ccc(=O)[nH]n1
InChIInChI=1S/C13H22N6O3/c1-14-7-8-19(9-12(21)15-2)13(22)5-6-16-10-3-4-11(20)18-17-10/h3-4,14H,5-9H2,1-2H3,(H,15,21)(H,16,17)(H,18,20)
InChIKeyPORDPMCIKYQWAM-UHFFFAOYSA-N
MW310.36 g/mol
LogP-1.63
Rot. Bonds9

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

N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide (PubChem CID 90292867) has the molecular formula C13H22N6O3 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide
PubChem CID90292867
Molecular FormulaC13H22N6O3
Molecular Weight310.36 g/mol
Exact Mass310.18
IUPAC NameN-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide
SMILESCNCCN(CC(=O)NC)C(=O)CCNc1ccc(=O)[nH]n1
InChIInChI=1S/C13H22N6O3/c1-14-7-8-19(9-12(21)15-2)13(22)5-6-16-10-3-4-11(20)18-17-10/h3-4,14H,5-9H2,1-2H3,(H,15,21)(H,16,17)(H,18,20)
InChIKeyPORDPMCIKYQWAM-UHFFFAOYSA-N
XLogP-1.63
TPSA119.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide?
The IUPAC name of N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide (CID 90292867) is N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide is CNCCN(CC(=O)NC)C(=O)CCNc1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide?
The InChIKey is PORDPMCIKYQWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O3/c1-14-7-8-19(9-12(21)15-2)13(22)5-6-16-10-3-4-11(20)18-17-10/h3-4,14H,5-9H2,1-2H3,(H,15,21)(H,16,17)(H,18,20).
What are the key properties of N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide?
N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide has a molecular weight of 310.36 g/mol, XLogP of -1.63, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanamide is sourced from PubChem (CID 90292867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).