N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide

C16H26N4O2 — CID 53202079

IUPACN-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C16H26N4O2/c1-12(2)4-7-17-16(22)13-5-8-20(9-6-13)14-10-15(21)19(3)18-11-14/h10-13H,4-9H2,1-3H3,(H,17,22)
InChIKeyOGZURRXEPJLFOR-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.16
Rot. Bonds5

About N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide

N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202079) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202079
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C16H26N4O2/c1-12(2)4-7-17-16(22)13-5-8-20(9-6-13)14-10-15(21)19(3)18-11-14/h10-13H,4-9H2,1-3H3,(H,17,22)
InChIKeyOGZURRXEPJLFOR-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}-4-piperidinecarboxamide
CID 56891455
2-methoxy-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}butanamide
CID 70726045
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
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
4-[3-[2-(azepan-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 91917369
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
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

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide (CID 53202079) is N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is OGZURRXEPJLFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(2)4-7-17-16(22)13-5-8-20(9-6-13)14-10-15(21)19(3)18-11-14/h10-13H,4-9H2,1-3H3,(H,17,22).
What are the key properties of N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).