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

C11H17ClN4O2 — CID 114167431

IUPAC3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCCn1ncc(NCC(C)(C)C(N)=O)c(Cl)c1=O
InChIInChI=1S/C11H17ClN4O2/c1-4-16-9(17)8(12)7(5-15-16)14-6-11(2,3)10(13)18/h5,14H,4,6H2,1-3H3,(H2,13,18)
InChIKeyZCVWLGAIHHKNBU-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.84
Rot. Bonds5

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

3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide (PubChem CID 114167431) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide
PubChem CID114167431
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCCn1ncc(NCC(C)(C)C(N)=O)c(Cl)c1=O
InChIInChI=1S/C11H17ClN4O2/c1-4-16-9(17)8(12)7(5-15-16)14-6-11(2,3)10(13)18/h5,14H,4,6H2,1-3H3,(H2,13,18)
InChIKeyZCVWLGAIHHKNBU-UHFFFAOYSA-N
XLogP0.84
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one
CID 114447360
2-[2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]ethoxy]acetamide
CID 106239358
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide
CID 114433471
4-chloro-2-ethyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 114093724
3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide
CID 60507497
4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one
CID 114432236
3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide
CID 60507712
3-[[5-bromo-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide
CID 106277890
4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one
CID 114440374
5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one
CID 114444519
4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one
CID 114433216
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylethanesulfonamide
CID 106338048

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide (CID 114167431) is 3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide is CCn1ncc(NCC(C)(C)C(N)=O)c(Cl)c1=O.
What is the InChIKey of 3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is ZCVWLGAIHHKNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-4-16-9(17)8(12)7(5-15-16)14-6-11(2,3)10(13)18/h5,14H,4,6H2,1-3H3,(H2,13,18).
What are the key properties of 3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide?
3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 272.74 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 114167431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).