N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methylpentanamide

C17H28N4O2 — CID 91924052

IUPACN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methylpentanamide
SMILESCCn1ncc(N2CCC(NC(=O)CCC(C)C)CC2)cc1=O
InChIInChI=1S/C17H28N4O2/c1-4-21-17(23)11-15(12-18-21)20-9-7-14(8-10-20)19-16(22)6-5-13(2)3/h11-14H,4-10H2,1-3H3,(H,19,22)
InChIKeyBTNVABUZFHDOCD-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.78
Rot. Bonds6

About N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methylpentanamide

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methylpentanamide (PubChem CID 91924052) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methylpentanamide
PubChem CID91924052
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methylpentanamide
SMILESCCn1ncc(N2CCC(NC(=O)CCC(C)C)CC2)cc1=O
InChIInChI=1S/C17H28N4O2/c1-4-21-17(23)11-15(12-18-21)20-9-7-14(8-10-20)19-16(22)6-5-13(2)3/h11-14H,4-10H2,1-3H3,(H,19,22)
InChIKeyBTNVABUZFHDOCD-UHFFFAOYSA-N
XLogP1.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methylpentanamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methylpentanamide (CID 91924052) is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methylpentanamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methylpentanamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methylpentanamide is CCn1ncc(N2CCC(NC(=O)CCC(C)C)CC2)cc1=O.
What is the InChIKey of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methylpentanamide?
The InChIKey is BTNVABUZFHDOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-21-17(23)11-15(12-18-21)20-9-7-14(8-10-20)19-16(22)6-5-13(2)3/h11-14H,4-10H2,1-3H3,(H,19,22).
What are the key properties of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methylpentanamide?
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methylpentanamide has a molecular weight of 320.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methylpentanamide is sourced from PubChem (CID 91924052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).