N-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide

C13H17ClN4O3 — CID 61051450

IUPACN-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(C(=O)c2ccc(Cl)nn2)CC1
InChIInChI=1S/C13H17ClN4O3/c1-21-8-12(19)15-9-4-6-18(7-5-9)13(20)10-2-3-11(14)17-16-10/h2-3,9H,4-8H2,1H3,(H,15,19)
InChIKeyLIXUBFYZLLDGNT-UHFFFAOYSA-N
MW312.76 g/mol
LogP0.50
Rot. Bonds4

About N-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide

N-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide (PubChem CID 61051450) has the molecular formula C13H17ClN4O3 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide
PubChem CID61051450
Molecular FormulaC13H17ClN4O3
Molecular Weight312.76 g/mol
Exact Mass312.10
IUPAC NameN-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(C(=O)c2ccc(Cl)nn2)CC1
InChIInChI=1S/C13H17ClN4O3/c1-21-8-12(19)15-9-4-6-18(7-5-9)13(20)10-2-3-11(14)17-16-10/h2-3,9H,4-8H2,1H3,(H,15,19)
InChIKeyLIXUBFYZLLDGNT-UHFFFAOYSA-N
XLogP0.50
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide (CID 61051450) is N-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide is COCC(=O)NC1CCN(C(=O)c2ccc(Cl)nn2)CC1.
What is the InChIKey of N-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide?
The InChIKey is LIXUBFYZLLDGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O3/c1-21-8-12(19)15-9-4-6-18(7-5-9)13(20)10-2-3-11(14)17-16-10/h2-3,9H,4-8H2,1H3,(H,15,19).
What are the key properties of N-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide?
N-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide has a molecular weight of 312.76 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 61051450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).