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

C13H21ClN4O2 — CID 114435408

IUPAC2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCC(C)Cn1ncc(NC(C)C(=O)N(C)C)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O2/c1-8(2)7-18-13(20)11(14)10(6-15-18)16-9(3)12(19)17(4)5/h6,8-9,16H,7H2,1-5H3
InChIKeyJEGJZXSYHCNMGG-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.44
Rot. Bonds5

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

2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide (PubChem CID 114435408) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
PubChem CID114435408
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCC(C)Cn1ncc(NC(C)C(=O)N(C)C)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O2/c1-8(2)7-18-13(20)11(14)10(6-15-18)16-9(3)12(19)17(4)5/h6,8-9,16H,7H2,1-5H3
InChIKeyJEGJZXSYHCNMGG-UHFFFAOYSA-N
XLogP1.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114434114
4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438260
4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114435007
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one
CID 106149013
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide
CID 114433471
4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438468
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 106738332
4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114443172
4-chloro-5-[3-[methyl(propan-2-yl)amino]propylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106048521
4-chloro-5-[(2,5-dimethylpyrrol-1-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439918

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide (CID 114435408) is 2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide is CC(C)Cn1ncc(NC(C)C(=O)N(C)C)c(Cl)c1=O.
What is the InChIKey of 2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is JEGJZXSYHCNMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-8(2)7-18-13(20)11(14)10(6-15-18)16-9(3)12(19)17(4)5/h6,8-9,16H,7H2,1-5H3.
What are the key properties of 2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide?
2-[[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, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 114435408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).