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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Related Compounds

2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
1-isopropyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-L-prolinamide
CID 70780050
5-{4-[(1-ethyl-6-oxo-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72861124
5-{4-[(1-isopropyl-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72887593
2-methyl-5-{4-[(1-propionyl-3-piperidinyl)carbonyl]-1-piperazinyl}-3(2H)-pyridazinone
CID 72906911
5-{4-[(1-acetyl-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72924136
3-Cyclohexyl-N-[1-(6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]propanamide
CID 91911737
"3-cyclopentyl-N-[1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]propanamide"
CID 91911745
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
N-Cyclopropyl-2-{1-[1-(cyclopropylmethyl)-6-oxo-16-dihydropyridazin-4-YL]piperidin-3-YL}acetamide
CID 91917542
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878

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).