2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide

C17H29N5O2 — CID 95847101

IUPAC2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCOCCNc1ccc(C[C@H]2CCCN(CC(=O)N(C)C)C2)nn1
InChIInChI=1S/C17H29N5O2/c1-21(2)17(23)13-22-9-4-5-14(12-22)11-15-6-7-16(20-19-15)18-8-10-24-3/h6-7,14H,4-5,8-13H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyFPLTZUCGMPTRBM-CQSZACIVSA-N
MW335.45 g/mol
LogP0.88
Rot. Bonds8

About 2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide

2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 95847101) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID95847101
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCOCCNc1ccc(C[C@H]2CCCN(CC(=O)N(C)C)C2)nn1
InChIInChI=1S/C17H29N5O2/c1-21(2)17(23)13-22-9-4-5-14(12-22)11-15-6-7-16(20-19-15)18-8-10-24-3/h6-7,14H,4-5,8-13H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyFPLTZUCGMPTRBM-CQSZACIVSA-N
XLogP0.88
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide (CID 95847101) is 2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide is COCCNc1ccc(C[C@H]2CCCN(CC(=O)N(C)C)C2)nn1.
What is the InChIKey of 2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is FPLTZUCGMPTRBM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-21(2)17(23)13-22-9-4-5-14(12-22)11-15-6-7-16(20-19-15)18-8-10-24-3/h6-7,14H,4-5,8-13H2,1-3H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 335.45 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 95847101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).