N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

C14H22N4O2 — CID 53203822

IUPACN-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C14H22N4O2/c1-10(2)7-15-14(20)11-4-3-5-18(9-11)12-6-13(19)17-16-8-12/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,15,20)(H,17,19)
InChIKeyVQADLSLYFSLVFJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.76
Rot. Bonds4

About N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203822) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203822
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C14H22N4O2/c1-10(2)7-15-14(20)11-4-3-5-18(9-11)12-6-13(19)17-16-8-12/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,15,20)(H,17,19)
InChIKeyVQADLSLYFSLVFJ-UHFFFAOYSA-N
XLogP0.76
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
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
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]pentanamide
CID 91924008
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016
N-cyclopentyl-1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxamide
CID 53202029
N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202047

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (CID 53203822) is N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is CC(C)CNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is VQADLSLYFSLVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)7-15-14(20)11-4-3-5-18(9-11)12-6-13(19)17-16-8-12/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,15,20)(H,17,19).
What are the key properties of N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).