N-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide

C13H18N4O2 — CID 124783276

IUPACN-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NC[C@@H]1CC[C@H]2NCCO[C@@H]12)c1ccnnc1
InChIInChI=1S/C13H18N4O2/c18-13(10-3-4-16-17-8-10)15-7-9-1-2-11-12(9)19-6-5-14-11/h3-4,8-9,11-12,14H,1-2,5-7H2,(H,15,18)/t9-,11+,12-/m0/s1
InChIKeyZKNPCGIHNFWAOZ-WCQGTBRESA-N
MW262.31 g/mol
LogP-0.03
Rot. Bonds3

About N-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide

N-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide (PubChem CID 124783276) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide
PubChem CID124783276
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NC[C@@H]1CC[C@H]2NCCO[C@@H]12)c1ccnnc1
InChIInChI=1S/C13H18N4O2/c18-13(10-3-4-16-17-8-10)15-7-9-1-2-11-12(9)19-6-5-14-11/h3-4,8-9,11-12,14H,1-2,5-7H2,(H,15,18)/t9-,11+,12-/m0/s1
InChIKeyZKNPCGIHNFWAOZ-WCQGTBRESA-N
XLogP-0.03
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(morpholin-2-ylmethyl)pyridazine-4-carboxamide
CID 104671734
N-[[(4aR,7aR)-4-(furan-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide
CID 133139594
2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113439196
N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide
CID 104672632
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridazine-4-carboxamide
CID 131652372
N-[[(3R,3aS,6aS)-5-(2-methylcyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide
CID 131693376
N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide
CID 131899772
N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide
CID 97364568
N-[[(3R,3aR,6aR)-5-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide
CID 124780929
N-(2-methoxyethyl)pyridazine-4-carboxamide
CID 143705997
N-(4-hydroxybutyl)pyridazine-4-carboxamide
CID 106843632
N-[[(3R,3aS,6aS)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide
CID 124780287

Frequently Asked Questions

What is the IUPAC name of N-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide (CID 124783276) is N-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide is O=C(NC[C@@H]1CC[C@H]2NCCO[C@@H]12)c1ccnnc1.
What is the InChIKey of N-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is ZKNPCGIHNFWAOZ-WCQGTBRESA-N. The full InChI is InChI=1S/C13H18N4O2/c18-13(10-3-4-16-17-8-10)15-7-9-1-2-11-12(9)19-6-5-14-11/h3-4,8-9,11-12,14H,1-2,5-7H2,(H,15,18)/t9-,11+,12-/m0/s1.
What are the key properties of N-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide?
N-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 262.31 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4aR,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 124783276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).