2-(diethylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide

C16H27N5O2 — CID 70750031

IUPAC2-(diethylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCCN(CC)CC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H27N5O2/c1-4-20(5-2)12-15(22)17-9-13-6-7-21(11-13)14-8-16(23)19(3)18-10-14/h8,10,13H,4-7,9,11-12H2,1-3H3,(H,17,22)
InChIKeyOBZGARHECKTAAH-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.06
Rot. Bonds7

About 2-(diethylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide

2-(diethylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 70750031) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-(diethylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID70750031
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name2-(diethylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCCN(CC)CC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H27N5O2/c1-4-20(5-2)12-15(22)17-9-13-6-7-21(11-13)14-8-16(23)19(3)18-10-14/h8,10,13H,4-7,9,11-12H2,1-3H3,(H,17,22)
InChIKeyOBZGARHECKTAAH-UHFFFAOYSA-N
XLogP0.06
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide (CID 70750031) is 2-(diethylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide is CCN(CC)CC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 2-(diethylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is OBZGARHECKTAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-4-20(5-2)12-15(22)17-9-13-6-7-21(11-13)14-8-16(23)19(3)18-10-14/h8,10,13H,4-7,9,11-12H2,1-3H3,(H,17,22).
What are the key properties of 2-(diethylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
2-(diethylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 321.43 g/mol, XLogP of 0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 70750031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).