N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylpropanamide

C17H28N4O3 — CID 91924089

IUPACN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCOCCn1ncc(N2CCC(NC(=O)C(C)(C)C)CC2)cc1=O
InChIInChI=1S/C17H28N4O3/c1-17(2,3)16(23)19-13-5-7-20(8-6-13)14-11-15(22)21(18-12-14)9-10-24-4/h11-13H,5-10H2,1-4H3,(H,19,23)
InChIKeyLJWVSIVTSDIGKB-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.02
Rot. Bonds5

About N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylpropanamide

N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 91924089) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID91924089
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCOCCn1ncc(N2CCC(NC(=O)C(C)(C)C)CC2)cc1=O
InChIInChI=1S/C17H28N4O3/c1-17(2,3)16(23)19-13-5-7-20(8-6-13)14-11-15(22)21(18-12-14)9-10-24-4/h11-13H,5-10H2,1-4H3,(H,19,23)
InChIKeyLJWVSIVTSDIGKB-UHFFFAOYSA-N
XLogP1.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylpropanamide (CID 91924089) is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylpropanamide is COCCn1ncc(N2CCC(NC(=O)C(C)(C)C)CC2)cc1=O.
What is the InChIKey of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is LJWVSIVTSDIGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-17(2,3)16(23)19-13-5-7-20(8-6-13)14-11-15(22)21(18-12-14)9-10-24-4/h11-13H,5-10H2,1-4H3,(H,19,23).
What are the key properties of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylpropanamide?
N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 336.44 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 91924089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).