methanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine

C24H44N6O — CID 154660988

IUPACmethanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine
SMILESCCCCCCC(C)CC.CN1CCCC1.Cc1ccc(-c2ncon2)cn1.[H]/N=C/N
InChIInChI=1S/C10H22.C8H7N3O.C5H11N.CH4N2/c1-4-6-7-8-9-10(3)5-2;1-6-2-3-7(4-9-6)8-10-5-12-11-8;1-6-4-2-3-5-6;2-1-3/h10H,4-9H2,1-3H3;2-5H,1H3;2-5H2,1H3;1H,(H3,2,3)
InChIKeyWULDFAWYAFGKAZ-UHFFFAOYSA-N
MW432.66 g/mol
LogP5.71
Rot. Bonds7

About methanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine

methanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine (PubChem CID 154660988) has the molecular formula C24H44N6O and a molecular weight of 432.66 g/mol. Its IUPAC name is methanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine.

Molecular Properties

Compound Namemethanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine
PubChem CID154660988
Molecular FormulaC24H44N6O
Molecular Weight432.66 g/mol
Exact Mass432.36
IUPAC Namemethanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine
SMILESCCCCCCC(C)CC.CN1CCCC1.Cc1ccc(-c2ncon2)cn1.[H]/N=C/N
InChIInChI=1S/C10H22.C8H7N3O.C5H11N.CH4N2/c1-4-6-7-8-9-10(3)5-2;1-6-2-3-7(4-9-6)8-10-5-12-11-8;1-6-4-2-3-5-6;2-1-3/h10H,4-9H2,1-3H3;2-5H,1H3;2-5H2,1H3;1H,(H3,2,3)
InChIKeyWULDFAWYAFGKAZ-UHFFFAOYSA-N
XLogP5.71
TPSA104.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.66
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

5-[5-[1-(5-Pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66825947
5-Tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-ylpyridin-2-yl)-1,2,4-oxadiazole
CID 86276043
5-Propan-2-yl-3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72146497
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 75373753
N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine
CID 135972479
N-[(5-ethylpyridin-2-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 77087607
1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 126427429
3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole
CID 164630613
3-[2-(4-Fluorophenyl)-2-pyridin-2-yl-1-pyridin-3-ylethyl]-1,2,4-oxadiazole
CID 57794948
1-[[1-[2-Fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine
CID 118010480
3-[5-(2-Fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 141044280
3-[5-(2-Fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-amine
CID 141044328

Frequently Asked Questions

What is the IUPAC name of methanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine?
The IUPAC name of methanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine (CID 154660988) is methanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine.
What is the SMILES notation for methanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine?
The canonical SMILES for methanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine is CCCCCCC(C)CC.CN1CCCC1.Cc1ccc(-c2ncon2)cn1.[H]/N=C/N.
What is the InChIKey of methanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine?
The InChIKey is WULDFAWYAFGKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C8H7N3O.C5H11N.CH4N2/c1-4-6-7-8-9-10(3)5-2;1-6-2-3-7(4-9-6)8-10-5-12-11-8;1-6-4-2-3-5-6;2-1-3/h10H,4-9H2,1-3H3;2-5H,1H3;2-5H2,1H3;1H,(H3,2,3).
What are the key properties of methanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine?
methanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine has a molecular weight of 432.66 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanimidamide;3-methylnonane;3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole;1-methylpyrrolidine is sourced from PubChem (CID 154660988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).