N-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide

C12H19N5O — CID 177272335

IUPACN-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide
SMILESCN[C@@H]1CCCN(c2cc(NC(C)=O)cnn2)C1
InChIInChI=1S/C12H19N5O/c1-9(18)15-11-6-12(16-14-7-11)17-5-3-4-10(8-17)13-2/h6-7,10,13H,3-5,8H2,1-2H3,(H,15,16,18)/t10-/m1/s1
InChIKeyMDEACYVGWXBTTC-SNVBAGLBSA-N
MW249.32 g/mol
LogP0.62
Rot. Bonds3

About N-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide

N-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide (PubChem CID 177272335) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide
PubChem CID177272335
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide
SMILESCN[C@@H]1CCCN(c2cc(NC(C)=O)cnn2)C1
InChIInChI=1S/C12H19N5O/c1-9(18)15-11-6-12(16-14-7-11)17-5-3-4-10(8-17)13-2/h6-7,10,13H,3-5,8H2,1-2H3,(H,15,16,18)/t10-/m1/s1
InChIKeyMDEACYVGWXBTTC-SNVBAGLBSA-N
XLogP0.62
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine
CID 58227207
N-cyclopentyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227216
N-cyclopentyl-5-(4-methylpiperazin-1-yl)pyridazin-3-amine
CID 58227242
N-cyclopentyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227337
5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine
CID 67087450
5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine
CID 58227158
N-cyclohexyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227193
N-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227362
N-methyl-1-(pyridazin-3-yl)piperidin-4-amine
CID 54594801
(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine
CID 94476470
2-Pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 56778529
4-Methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 56778538

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide?
The IUPAC name of N-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide (CID 177272335) is N-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide.
What is the SMILES notation for N-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide?
The canonical SMILES for N-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide is CN[C@@H]1CCCN(c2cc(NC(C)=O)cnn2)C1.
What is the InChIKey of N-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide?
The InChIKey is MDEACYVGWXBTTC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9(18)15-11-6-12(16-14-7-11)17-5-3-4-10(8-17)13-2/h6-7,10,13H,3-5,8H2,1-2H3,(H,15,16,18)/t10-/m1/s1.
What are the key properties of N-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide?
N-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide has a molecular weight of 249.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide is sourced from PubChem (CID 177272335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).