3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide

C13H21ClN4O2 — CID 114434114

IUPAC3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCC(C)Cn1ncc(NCCC(=O)N(C)C)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O2/c1-9(2)8-18-13(20)12(14)10(7-16-18)15-6-5-11(19)17(3)4/h7,9,15H,5-6,8H2,1-4H3
InChIKeyVNEHTOINGUVEMA-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.44
Rot. Bonds6

About 3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide

3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide (PubChem CID 114434114) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
PubChem CID114434114
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCC(C)Cn1ncc(NCCC(=O)N(C)C)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O2/c1-9(2)8-18-13(20)12(14)10(7-16-18)15-6-5-11(19)17(3)4/h7,9,15H,5-6,8H2,1-4H3
InChIKeyVNEHTOINGUVEMA-UHFFFAOYSA-N
XLogP1.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114435408
4-chloro-5-[3-[methyl(propan-2-yl)amino]propylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106048521
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136715
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one
CID 106149013
4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114436398
N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433515
4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
CID 114432372
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114442227

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide (CID 114434114) is 3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide is CC(C)Cn1ncc(NCCC(=O)N(C)C)c(Cl)c1=O.
What is the InChIKey of 3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is VNEHTOINGUVEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-9(2)8-18-13(20)12(14)10(7-16-18)15-6-5-11(19)17(3)4/h7,9,15H,5-6,8H2,1-4H3.
What are the key properties of 3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide?
3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 300.79 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 114434114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).