N-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide

C11H14N4O3 — CID 43214064

IUPACN-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H14N4O3/c1-14(7-2-6-12)10(17)5-8-15-11(18)4-3-9(16)13-15/h3-4H,2,5,7-8H2,1H3,(H,13,16)
InChIKeyBOPFBTLJLLIVPC-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.70
Rot. Bonds5

About N-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide

N-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide (PubChem CID 43214064) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide
PubChem CID43214064
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H14N4O3/c1-14(7-2-6-12)10(17)5-8-15-11(18)4-3-9(16)13-15/h3-4H,2,5,7-8H2,1H3,(H,13,16)
InChIKeyBOPFBTLJLLIVPC-UHFFFAOYSA-N
XLogP-0.70
TPSA98.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile
CID 580599
1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione
CID 587202
2-(2-Carbamoylethyl)-2,3-dihydro-6-hydroxy-3-oxopyridazine
CID 597095
3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide
CID 169243830
3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide;molecular hydrogen
CID 176992092
3-(3,6-dioxo-1H-pyridazin-2-yl)-N',N'-dimethylpropanehydrazide
CID 9179928
4-(3,6-dioxo-1H-pyridazin-2-yl)butanenitrile
CID 24699332
N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
CID 43243633
N-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide
CID 43290876
3-(3,6-dioxo-1H-pyridazin-2-yl)-2-methylpropanenitrile
CID 43367400
3-(3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide
CID 60651180
2-[3-(methylamino)propyl]-1H-pyridazine-3,6-dione
CID 61387021

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide (CID 43214064) is N-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide is CN(CCC#N)C(=O)CCn1[nH]c(=O)ccc1=O.
What is the InChIKey of N-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide?
The InChIKey is BOPFBTLJLLIVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-14(7-2-6-12)10(17)5-8-15-11(18)4-3-9(16)13-15/h3-4H,2,5,7-8H2,1H3,(H,13,16).
What are the key properties of N-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide?
N-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide has a molecular weight of 250.26 g/mol, XLogP of -0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide is sourced from PubChem (CID 43214064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).