N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide

C14H26N4O2 — CID 79925192

IUPACN'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide
SMILESCCC(C(=O)N1CC2CCCCN2CC1C)C(N)=NO
InChIInChI=1S/C14H26N4O2/c1-3-12(13(15)16-20)14(19)18-9-11-6-4-5-7-17(11)8-10(18)2/h10-12,20H,3-9H2,1-2H3,(H2,15,16)
InChIKeyORUVEGLRCRRQPC-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.84
Rot. Bonds3

About N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide

N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide (PubChem CID 79925192) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide
PubChem CID79925192
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide
SMILESCCC(C(=O)N1CC2CCCCN2CC1C)C(N)=NO
InChIInChI=1S/C14H26N4O2/c1-3-12(13(15)16-20)14(19)18-9-11-6-4-5-7-17(11)8-10(18)2/h10-12,20H,3-9H2,1-2H3,(H2,15,16)
InChIKeyORUVEGLRCRRQPC-UHFFFAOYSA-N
XLogP0.84
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 76926751
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)-N'-hydroxybutanimidamide
CID 76986616
1-[2-(N'-hydroxycarbamimidoyl)butanoyl]-6-methylpiperidine-3-carboxamide
CID 76925260
2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide
CID 76926378
N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide
CID 76925224
(2S)-2-amino-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-1-one;dihydrochloride
CID 119890370
ethyl 3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 78992352
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-N'-hydroxybutanimidamide
CID 102727565
2-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanethioamide
CID 79922230
N'-hydroxy-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)cyclopropane-1-carboximidamide
CID 80594653
2-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanethioamide
CID 114292422
3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 79935126

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide?
The IUPAC name of N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide (CID 79925192) is N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide is CCC(C(=O)N1CC2CCCCN2CC1C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide?
The InChIKey is ORUVEGLRCRRQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-3-12(13(15)16-20)14(19)18-9-11-6-4-5-7-17(11)8-10(18)2/h10-12,20H,3-9H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide?
N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide has a molecular weight of 282.39 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide is sourced from PubChem (CID 79925192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).