N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide

C14H19N3O4 — CID 124761333

IUPACN-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-17-13(18)5-3-10(16-17)14(19)15-9-2-4-11-12(8-9)21-7-6-20-11/h3,5,9,11-12H,2,4,6-8H2,1H3,(H,15,19)/t9-,11-,12+/m1/s1
InChIKeyYGWXDVNLVXMWRX-JLLWLGSASA-N
MW293.32 g/mol
LogP-0.15
Rot. Bonds2

About N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 124761333) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID124761333
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-17-13(18)5-3-10(16-17)14(19)15-9-2-4-11-12(8-9)21-7-6-20-11/h3,5,9,11-12H,2,4,6-8H2,1H3,(H,15,19)/t9-,11-,12+/m1/s1
InChIKeyYGWXDVNLVXMWRX-JLLWLGSASA-N
XLogP-0.15
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide with MolForge

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Related Compounds

N-[(4aR,6R,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 124761332
N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-5-methylpyrazine-2-carboxamide
CID 124876813
N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]pyridine-4-carboxamide
CID 124760013
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 45217208
N-[(4aS,6R,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]thiophene-3-carboxamide
CID 124843923
N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 66005592
1-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-6-oxopyridazine-3-carboxamide
CID 95136775
N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-2-methoxybenzamide
CID 124892081
N-[2-(cyclopentylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 8933933
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91760865
1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide
CID 126936204
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91767405

Frequently Asked Questions

What is the IUPAC name of N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 124761333) is N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)ccc1=O.
What is the InChIKey of N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is YGWXDVNLVXMWRX-JLLWLGSASA-N. The full InChI is InChI=1S/C14H19N3O4/c1-17-13(18)5-3-10(16-17)14(19)15-9-2-4-11-12(8-9)21-7-6-20-11/h3,5,9,11-12H,2,4,6-8H2,1H3,(H,15,19)/t9-,11-,12+/m1/s1.
What are the key properties of N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 124761333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).