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

C18H27N3O2 — CID 122278903

IUPACN-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylpropanamide
SMILESCCN(C(=O)C(C)n1nc(C2CC2)ccc1=O)C1CCCCC1
InChIInChI=1S/C18H27N3O2/c1-3-20(15-7-5-4-6-8-15)18(23)13(2)21-17(22)12-11-16(19-21)14-9-10-14/h11-15H,3-10H2,1-2H3
InChIKeyYBHSRTDQTNFPBS-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.86
Rot. Bonds5

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

N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylpropanamide (PubChem CID 122278903) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylpropanamide
PubChem CID122278903
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylpropanamide
SMILESCCN(C(=O)C(C)n1nc(C2CC2)ccc1=O)C1CCCCC1
InChIInChI=1S/C18H27N3O2/c1-3-20(15-7-5-4-6-8-15)18(23)13(2)21-17(22)12-11-16(19-21)14-9-10-14/h11-15H,3-10H2,1-2H3
InChIKeyYBHSRTDQTNFPBS-UHFFFAOYSA-N
XLogP2.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.86
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-ethylpropanamide?
The IUPAC name of N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylpropanamide (CID 122278903) is N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylpropanamide?
The canonical SMILES for N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylpropanamide is CCN(C(=O)C(C)n1nc(C2CC2)ccc1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylpropanamide?
The InChIKey is YBHSRTDQTNFPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-20(15-7-5-4-6-8-15)18(23)13(2)21-17(22)12-11-16(19-21)14-9-10-14/h11-15H,3-10H2,1-2H3.
What are the key properties of N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylpropanamide?
N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-ethylpropanamide has a molecular weight of 317.43 g/mol, XLogP of 2.86, 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-ethylpropanamide is sourced from PubChem (CID 122278903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).