N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide

C15H25N5O — CID 95817059

IUPACN-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide
SMILESCN(C)CCNC(=O)CC1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H25N5O/c1-19(2)11-8-16-15(21)12-13-5-9-20(10-6-13)14-4-3-7-17-18-14/h3-4,7,13H,5-6,8-12H2,1-2H3,(H,16,21)
InChIKeyURZAAXGQWRHPHO-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.76
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide

N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide (PubChem CID 95817059) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide
PubChem CID95817059
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide
SMILESCN(C)CCNC(=O)CC1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H25N5O/c1-19(2)11-8-16-15(21)12-13-5-9-20(10-6-13)14-4-3-7-17-18-14/h3-4,7,13H,5-6,8-12H2,1-2H3,(H,16,21)
InChIKeyURZAAXGQWRHPHO-UHFFFAOYSA-N
XLogP0.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide (CID 95817059) is N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide is CN(C)CCNC(=O)CC1CCN(c2cccnn2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide?
The InChIKey is URZAAXGQWRHPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-19(2)11-8-16-15(21)12-13-5-9-20(10-6-13)14-4-3-7-17-18-14/h3-4,7,13H,5-6,8-12H2,1-2H3,(H,16,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide?
N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide has a molecular weight of 291.40 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 95817059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).