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

C15H24N4O3 — CID 97277530

IUPAC2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-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-/m0/s1
InChIKeyZNCVXYINOWTLMP-ZDUSSCGKSA-N
MW308.38 g/mol
LogP0.34
Rot. Bonds5

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

2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide (PubChem CID 97277530) 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-[[(2S)-oxan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
PubChem CID97277530
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-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-/m0/s1
InChIKeyZNCVXYINOWTLMP-ZDUSSCGKSA-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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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 97269960
5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 45195111
5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one
CID 114395499
2-(3-methoxy-2-oxo-1-pyridinyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 97280486
N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 72938624
5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one
CID 28956134
5-(dimethylamino)-2-[2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 97284720
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 126445754
2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 97281790
5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one
CID 114397448
2-(2-cyclopropyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
CID 114397069
5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 61218020

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide (CID 97277530) is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-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-[[(2S)-oxan-2-yl]methyl]acetamide?
The InChIKey is ZNCVXYINOWTLMP-ZDUSSCGKSA-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-/m0/s1.
What are the key properties of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide?
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-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-[[(2S)-oxan-2-yl]methyl]acetamide is sourced from PubChem (CID 97277530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).