N,N-dimethyl-3-[6-oxo-4-(propylamino)pyridazin-1-yl]propanamide

C12H20N4O2 — CID 103220358

IUPACN,N-dimethyl-3-[6-oxo-4-(propylamino)pyridazin-1-yl]propanamide
SMILESCCCNc1cnn(CCC(=O)N(C)C)c(=O)c1
InChIInChI=1S/C12H20N4O2/c1-4-6-13-10-8-12(18)16(14-9-10)7-5-11(17)15(2)3/h8-9,13H,4-7H2,1-3H3
InChIKeyIDSHCQACZXAXQA-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.54
Rot. Bonds6

About N,N-dimethyl-3-[6-oxo-4-(propylamino)pyridazin-1-yl]propanamide

N,N-dimethyl-3-[6-oxo-4-(propylamino)pyridazin-1-yl]propanamide (PubChem CID 103220358) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N,N-dimethyl-3-[6-oxo-4-(propylamino)pyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[6-oxo-4-(propylamino)pyridazin-1-yl]propanamide
PubChem CID103220358
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN,N-dimethyl-3-[6-oxo-4-(propylamino)pyridazin-1-yl]propanamide
SMILESCCCNc1cnn(CCC(=O)N(C)C)c(=O)c1
InChIInChI=1S/C12H20N4O2/c1-4-6-13-10-8-12(18)16(14-9-10)7-5-11(17)15(2)3/h8-9,13H,4-7H2,1-3H3
InChIKeyIDSHCQACZXAXQA-UHFFFAOYSA-N
XLogP0.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-methyl-1-piperazinyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 56910372
N-[3-[bis(2-methylpropyl)amino]propyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 91920262
N-[1-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]pentanamide
CID 91924039
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 91924062
N-[1-(1-ethyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]-2,2-dimethylpropanamide
CID 91924064
N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 110196819
2-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]propanamide
CID 110876544
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
CID 110876546
N-[1-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 110876547
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-methylpropanamide
CID 110876550
N~1~-[1-(1-Ethyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]propanamide
CID 110876551
4-(Aminomethyl)-5-(ethylamino)-2-methylpyridazin-3(2h)-one
CID 46848463

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[6-oxo-4-(propylamino)pyridazin-1-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[6-oxo-4-(propylamino)pyridazin-1-yl]propanamide (CID 103220358) is N,N-dimethyl-3-[6-oxo-4-(propylamino)pyridazin-1-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[6-oxo-4-(propylamino)pyridazin-1-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[6-oxo-4-(propylamino)pyridazin-1-yl]propanamide is CCCNc1cnn(CCC(=O)N(C)C)c(=O)c1.
What is the InChIKey of N,N-dimethyl-3-[6-oxo-4-(propylamino)pyridazin-1-yl]propanamide?
The InChIKey is IDSHCQACZXAXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-6-13-10-8-12(18)16(14-9-10)7-5-11(17)15(2)3/h8-9,13H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[6-oxo-4-(propylamino)pyridazin-1-yl]propanamide?
N,N-dimethyl-3-[6-oxo-4-(propylamino)pyridazin-1-yl]propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[6-oxo-4-(propylamino)pyridazin-1-yl]propanamide is sourced from PubChem (CID 103220358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).