N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide

C13H19N3O2 — CID 122277843

IUPACN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C13H19N3O2/c1-2-3-12(17)14-8-9-16-13(18)7-6-11(15-16)10-4-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,14,17)
InChIKeyNNUPZHKTABNCIH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.04
Rot. Bonds6

About N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide (PubChem CID 122277843) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide
PubChem CID122277843
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C13H19N3O2/c1-2-3-12(17)14-8-9-16-13(18)7-6-11(15-16)10-4-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,14,17)
InChIKeyNNUPZHKTABNCIH-UHFFFAOYSA-N
XLogP1.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylpropanamide
CID 122277842
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide
CID 122278444
3-(3-chlorophenyl)-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]propanamide
CID 122246339
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 122278018
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 122277796
4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 122277960
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 122278125
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 122278010
1-cyclopentyl-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
CID 122278186
methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate
CID 122277941
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-fluorobenzamide
CID 122277818

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide?
The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide (CID 122277843) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide is CCCC(=O)NCCn1nc(C2CC2)ccc1=O.
What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide?
The InChIKey is NNUPZHKTABNCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-3-12(17)14-8-9-16-13(18)7-6-11(15-16)10-4-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,14,17).
What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide?
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide has a molecular weight of 249.31 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide is sourced from PubChem (CID 122277843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).