2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide

C13H19ClN4O3 — CID 106239368

IUPAC2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1c(Cl)cnn(CC2CCC2)c1=O
InChIInChI=1S/C13H19ClN4O3/c14-10-6-17-18(7-9-2-1-3-9)13(20)12(10)16-4-5-21-8-11(15)19/h6,9,16H,1-5,7-8H2,(H2,15,19)
InChIKeyJOKMIQSFZPARES-UHFFFAOYSA-N
MW314.77 g/mol
LogP0.61
Rot. Bonds8

About 2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide

2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide (PubChem CID 106239368) has the molecular formula C13H19ClN4O3 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide
PubChem CID106239368
Molecular FormulaC13H19ClN4O3
Molecular Weight314.77 g/mol
Exact Mass314.11
IUPAC Name2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1c(Cl)cnn(CC2CCC2)c1=O
InChIInChI=1S/C13H19ClN4O3/c14-10-6-17-18(7-9-2-1-3-9)13(20)12(10)16-4-5-21-8-11(15)19/h6,9,16H,1-5,7-8H2,(H2,15,19)
InChIKeyJOKMIQSFZPARES-UHFFFAOYSA-N
XLogP0.61
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one
CID 107850449
2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide
CID 106239365
5-chloro-2-(cyclobutylmethyl)-4-(4-hydroxypentylamino)pyridazin-3-one
CID 106136748
5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one
CID 106248172
5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one
CID 114432695
4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444067
5-chloro-2-(cyclopropylmethyl)-4-(2-propan-2-yloxyethylamino)pyridazin-3-one
CID 114441785
5-chloro-2-(cyclobutylmethyl)-4-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridazin-3-one
CID 106311185
5-chloro-2-(cyclobutylmethyl)-4-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
CID 106430881
4-(butylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432144
3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-2-hydroxypropanamide
CID 106177775
5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443243

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide (CID 106239368) is 2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide is NC(=O)COCCNc1c(Cl)cnn(CC2CCC2)c1=O.
What is the InChIKey of 2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide?
The InChIKey is JOKMIQSFZPARES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O3/c14-10-6-17-18(7-9-2-1-3-9)13(20)12(10)16-4-5-21-8-11(15)19/h6,9,16H,1-5,7-8H2,(H2,15,19).
What are the key properties of 2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide?
2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide has a molecular weight of 314.77 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide is sourced from PubChem (CID 106239368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).