N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylacetamide

C17H25N3O2 — CID 122278495

IUPACN-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1nc(C2CC2)ccc1=O)C1CCCCC1
InChIInChI=1S/C17H25N3O2/c1-2-19(14-6-4-3-5-7-14)17(22)12-20-16(21)11-10-15(18-20)13-8-9-13/h10-11,13-14H,2-9,12H2,1H3
InChIKeyDKLHQEUXXSLJAF-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.30
Rot. Bonds5

About N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylacetamide

N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylacetamide (PubChem CID 122278495) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylacetamide
PubChem CID122278495
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1nc(C2CC2)ccc1=O)C1CCCCC1
InChIInChI=1S/C17H25N3O2/c1-2-19(14-6-4-3-5-7-14)17(22)12-20-16(21)11-10-15(18-20)13-8-9-13/h10-11,13-14H,2-9,12H2,1H3
InChIKeyDKLHQEUXXSLJAF-UHFFFAOYSA-N
XLogP2.30
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylacetamide?
The IUPAC name of N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylacetamide (CID 122278495) is N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylacetamide is CCN(C(=O)Cn1nc(C2CC2)ccc1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylacetamide?
The InChIKey is DKLHQEUXXSLJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-19(14-6-4-3-5-7-14)17(22)12-20-16(21)11-10-15(18-20)13-8-9-13/h10-11,13-14H,2-9,12H2,1H3.
What are the key properties of N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylacetamide?
N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylacetamide has a molecular weight of 303.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylacetamide is sourced from PubChem (CID 122278495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).