N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide

C12H15ClN4O2 — CID 61051093

IUPACN-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2ccc(Cl)nn2)C1
InChIInChI=1S/C12H15ClN4O2/c1-8(18)14-9-3-2-6-17(7-9)12(19)10-4-5-11(13)16-15-10/h4-5,9H,2-3,6-7H2,1H3,(H,14,18)
InChIKeyCJVRYMRMTGHMEN-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.87
Rot. Bonds2

About N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide

N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide (PubChem CID 61051093) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide
PubChem CID61051093
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC NameN-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2ccc(Cl)nn2)C1
InChIInChI=1S/C12H15ClN4O2/c1-8(18)14-9-3-2-6-17(7-9)12(19)10-4-5-11(13)16-15-10/h4-5,9H,2-3,6-7H2,1H3,(H,14,18)
InChIKeyCJVRYMRMTGHMEN-UHFFFAOYSA-N
XLogP0.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide
CID 62234754
[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
CID 61053733
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate
CID 60859036
(6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55152774
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-chloropyridazin-3-yl)methanone
CID 60859360
N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide
CID 105380881
[(3R)-3-(methylamino)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124587818
N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
CID 126424676
[(3R)-1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]urea
CID 177272408
2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616081
N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide
CID 96570731

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide (CID 61051093) is N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)c2ccc(Cl)nn2)C1.
What is the InChIKey of N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is CJVRYMRMTGHMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-8(18)14-9-3-2-6-17(7-9)12(19)10-4-5-11(13)16-15-10/h4-5,9H,2-3,6-7H2,1H3,(H,14,18).
What are the key properties of N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide?
N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 282.73 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 61051093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).