2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide

C16H26N4O2 — CID 91924017

IUPAC2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
SMILESCCC(CC)C(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C16H26N4O2/c1-4-12(5-2)16(22)18-13-6-8-20(9-7-13)14-10-15(21)19(3)17-11-14/h10-13H,4-9H2,1-3H3,(H,18,22)
InChIKeyPZTVLRFXJKDOJV-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.30
Rot. Bonds5

About 2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide

2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide (PubChem CID 91924017) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
PubChem CID91924017
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
SMILESCCC(CC)C(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C16H26N4O2/c1-4-12(5-2)16(22)18-13-6-8-20(9-7-13)14-10-15(21)19(3)17-11-14/h10-13H,4-9H2,1-3H3,(H,18,22)
InChIKeyPZTVLRFXJKDOJV-UHFFFAOYSA-N
XLogP1.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The IUPAC name of 2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide (CID 91924017) is 2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide is CCC(CC)C(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The InChIKey is PZTVLRFXJKDOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-12(5-2)16(22)18-13-6-8-20(9-7-13)14-10-15(21)19(3)17-11-14/h10-13H,4-9H2,1-3H3,(H,18,22).
What are the key properties of 2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide has a molecular weight of 306.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide is sourced from PubChem (CID 91924017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).