N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide

C15H24N4O4 — CID 91767405

IUPACN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCN(C)CCO[C@@H]1COCCC1NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C15H24N4O4/c1-18(2)7-9-23-13-10-22-8-6-11(13)16-15(21)12-4-5-14(20)19(3)17-12/h4-5,11,13H,6-10H2,1-3H3,(H,16,21)/t11?,13-/m1/s1
InChIKeyFKQMOVMITSFBJM-GLGOKHISSA-N
MW324.38 g/mol
LogP-0.75
Rot. Bonds6

About N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 91767405) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID91767405
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC NameN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCN(C)CCO[C@@H]1COCCC1NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C15H24N4O4/c1-18(2)7-9-23-13-10-22-8-6-11(13)16-15(21)12-4-5-14(20)19(3)17-12/h4-5,11,13H,6-10H2,1-3H3,(H,16,21)/t11?,13-/m1/s1
InChIKeyFKQMOVMITSFBJM-GLGOKHISSA-N
XLogP-0.75
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91760865
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91775509
5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide
CID 91788646
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide
CID 91761132
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91783077
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 91790068
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 91786606
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide
CID 133266265
2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide
CID 91784481
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide
CID 91790527
N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide
CID 164629006
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-methyl-2-(4-methylphenoxy)propanamide
CID 91786617

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 91767405) is N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide is CN(C)CCO[C@@H]1COCCC1NC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is FKQMOVMITSFBJM-GLGOKHISSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-18(2)7-9-23-13-10-22-8-6-11(13)16-15(21)12-4-5-14(20)19(3)17-12/h4-5,11,13H,6-10H2,1-3H3,(H,16,21)/t11?,13-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of -0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 91767405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).