2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide

C15H24N4O3 — CID 97277531

IUPAC2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
SMILESCN(C[C@H]1CCCCO1)C(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C15H24N4O3/c1-17(2)12-8-14(20)19(16-9-12)11-15(21)18(3)10-13-6-4-5-7-22-13/h8-9,13H,4-7,10-11H2,1-3H3/t13-/m1/s1
InChIKeyZNCVXYINOWTLMP-CYBMUJFWSA-N
MW308.38 g/mol
LogP0.34
Rot. Bonds5

About 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide

2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide (PubChem CID 97277531) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
PubChem CID97277531
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
SMILESCN(C[C@H]1CCCCO1)C(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C15H24N4O3/c1-17(2)12-8-14(20)19(16-9-12)11-15(21)18(3)10-13-6-4-5-7-22-13/h8-9,13H,4-7,10-11H2,1-3H3/t13-/m1/s1
InChIKeyZNCVXYINOWTLMP-CYBMUJFWSA-N
XLogP0.34
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide (CID 97277531) is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide is CN(C[C@H]1CCCCO1)C(=O)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide?
The InChIKey is ZNCVXYINOWTLMP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-17(2)12-8-14(20)19(16-9-12)11-15(21)18(3)10-13-6-4-5-7-22-13/h8-9,13H,4-7,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide?
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide is sourced from PubChem (CID 97277531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).