1-(1-methyl-6-oxopyridazin-4-yl)-N-pentan-3-ylpiperidine-3-carboxamide

C16H26N4O2 — CID 53203884

IUPAC1-(1-methyl-6-oxopyridazin-4-yl)-N-pentan-3-ylpiperidine-3-carboxamide
SMILESCCC(CC)NC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H26N4O2/c1-4-13(5-2)18-16(22)12-7-6-8-20(11-12)14-9-15(21)19(3)17-10-14/h9-10,12-13H,4-8,11H2,1-3H3,(H,18,22)
InChIKeyQUSNCYATUDRUFO-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.30
Rot. Bonds5

About 1-(1-methyl-6-oxopyridazin-4-yl)-N-pentan-3-ylpiperidine-3-carboxamide

1-(1-methyl-6-oxopyridazin-4-yl)-N-pentan-3-ylpiperidine-3-carboxamide (PubChem CID 53203884) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-4-yl)-N-pentan-3-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-4-yl)-N-pentan-3-ylpiperidine-3-carboxamide
PubChem CID53203884
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-(1-methyl-6-oxopyridazin-4-yl)-N-pentan-3-ylpiperidine-3-carboxamide
SMILESCCC(CC)NC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H26N4O2/c1-4-13(5-2)18-16(22)12-7-6-8-20(11-12)14-9-15(21)19(3)17-10-14/h9-10,12-13H,4-8,11H2,1-3H3,(H,18,22)
InChIKeyQUSNCYATUDRUFO-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 1-(1-methyl-6-oxopyridazin-4-yl)-N-pentan-3-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-pentan-3-ylpiperidine-3-carboxamide (CID 53203884) is 1-(1-methyl-6-oxopyridazin-4-yl)-N-pentan-3-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-4-yl)-N-pentan-3-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-4-yl)-N-pentan-3-ylpiperidine-3-carboxamide is CCC(CC)NC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-4-yl)-N-pentan-3-ylpiperidine-3-carboxamide?
The InChIKey is QUSNCYATUDRUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-13(5-2)18-16(22)12-7-6-8-20(11-12)14-9-15(21)19(3)17-10-14/h9-10,12-13H,4-8,11H2,1-3H3,(H,18,22).
What are the key properties of 1-(1-methyl-6-oxopyridazin-4-yl)-N-pentan-3-ylpiperidine-3-carboxamide?
1-(1-methyl-6-oxopyridazin-4-yl)-N-pentan-3-ylpiperidine-3-carboxamide 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 1-(1-methyl-6-oxopyridazin-4-yl)-N-pentan-3-ylpiperidine-3-carboxamide is sourced from PubChem (CID 53203884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).