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

C17H28N4O2 — CID 70761647

IUPAC2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide
SMILESCCC(C)(C)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C17H28N4O2/c1-5-17(2,3)16(23)18-11-13-6-8-21(9-7-13)14-10-15(22)20(4)19-12-14/h10,12-13H,5-9,11H2,1-4H3,(H,18,23)
InChIKeyTYWKXZXMXGOYKO-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.55
Rot. Bonds5

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

2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide (PubChem CID 70761647) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide
PubChem CID70761647
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide
SMILESCCC(C)(C)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C17H28N4O2/c1-5-17(2,3)16(23)18-11-13-6-8-21(9-7-13)14-10-15(22)20(4)19-12-14/h10,12-13H,5-9,11H2,1-4H3,(H,18,23)
InChIKeyTYWKXZXMXGOYKO-UHFFFAOYSA-N
XLogP1.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide with MolForge

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Related Compounds

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
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
4-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202026
N-cyclopentyl-1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxamide
CID 53202029

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide (CID 70761647) is 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide is CCC(C)(C)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide?
The InChIKey is TYWKXZXMXGOYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-5-17(2,3)16(23)18-11-13-6-8-21(9-7-13)14-10-15(22)20(4)19-12-14/h10,12-13H,5-9,11H2,1-4H3,(H,18,23).
What are the key properties of 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide?
2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide has a molecular weight of 320.44 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]butanamide is sourced from PubChem (CID 70761647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).