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

C16H26N4O3 — CID 91924078

IUPACN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide
SMILESCOCCn1ncc(N2CCC(NC(=O)C(C)C)CC2)cc1=O
InChIInChI=1S/C16H26N4O3/c1-12(2)16(22)18-13-4-6-19(7-5-13)14-10-15(21)20(17-11-14)8-9-23-3/h10-13H,4-9H2,1-3H3,(H,18,22)
InChIKeyPQXYYZZMDTYRKA-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.63
Rot. Bonds6

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

N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 91924078) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide
PubChem CID91924078
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide
SMILESCOCCn1ncc(N2CCC(NC(=O)C(C)C)CC2)cc1=O
InChIInChI=1S/C16H26N4O3/c1-12(2)16(22)18-13-4-6-19(7-5-13)14-10-15(21)20(17-11-14)8-9-23-3/h10-13H,4-9H2,1-3H3,(H,18,22)
InChIKeyPQXYYZZMDTYRKA-UHFFFAOYSA-N
XLogP0.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.63
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-methylpropanamide?
The IUPAC name of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide (CID 91924078) is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide is COCCn1ncc(N2CCC(NC(=O)C(C)C)CC2)cc1=O.
What is the InChIKey of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is PQXYYZZMDTYRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-12(2)16(22)18-13-4-6-19(7-5-13)14-10-15(21)20(17-11-14)8-9-23-3/h10-13H,4-9H2,1-3H3,(H,18,22).
What are the key properties of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide?
N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide has a molecular weight of 322.41 g/mol, XLogP of 0.63, 6 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-methylpropanamide is sourced from PubChem (CID 91924078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).