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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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).