3-(diethylamino)-N-pyridazin-3-ylpyrrolidine-1-carboxamide

C13H21N5O — CID 71920380

IUPAC3-(diethylamino)-N-pyridazin-3-ylpyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)Nc2cccnn2)C1
InChIInChI=1S/C13H21N5O/c1-3-17(4-2)11-7-9-18(10-11)13(19)15-12-6-5-8-14-16-12/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,15,16,19)
InChIKeyYXFXAFVXHKSCJI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.42
Rot. Bonds4

About 3-(diethylamino)-N-pyridazin-3-ylpyrrolidine-1-carboxamide

3-(diethylamino)-N-pyridazin-3-ylpyrrolidine-1-carboxamide (PubChem CID 71920380) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(diethylamino)-N-pyridazin-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(diethylamino)-N-pyridazin-3-ylpyrrolidine-1-carboxamide
PubChem CID71920380
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name3-(diethylamino)-N-pyridazin-3-ylpyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)Nc2cccnn2)C1
InChIInChI=1S/C13H21N5O/c1-3-17(4-2)11-7-9-18(10-11)13(19)15-12-6-5-8-14-16-12/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,15,16,19)
InChIKeyYXFXAFVXHKSCJI-UHFFFAOYSA-N
XLogP1.42
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-pyridazin-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(diethylamino)-N-pyridazin-3-ylpyrrolidine-1-carboxamide (CID 71920380) is 3-(diethylamino)-N-pyridazin-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(diethylamino)-N-pyridazin-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(diethylamino)-N-pyridazin-3-ylpyrrolidine-1-carboxamide is CCN(CC)C1CCN(C(=O)Nc2cccnn2)C1.
What is the InChIKey of 3-(diethylamino)-N-pyridazin-3-ylpyrrolidine-1-carboxamide?
The InChIKey is YXFXAFVXHKSCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-17(4-2)11-7-9-18(10-11)13(19)15-12-6-5-8-14-16-12/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,15,16,19).
What are the key properties of 3-(diethylamino)-N-pyridazin-3-ylpyrrolidine-1-carboxamide?
3-(diethylamino)-N-pyridazin-3-ylpyrrolidine-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-pyridazin-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 71920380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).