N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide

C19H30N4O — CID 111733065

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESC/N=C(\NCc1ncc(C)c(OC)c1C)N1CCC2(CCCC2)C1
InChIInChI=1S/C19H30N4O/c1-14-11-21-16(15(2)17(14)24-4)12-22-18(20-3)23-10-9-19(13-23)7-5-6-8-19/h11H,5-10,12-13H2,1-4H3,(H,20,22)
InChIKeyVLJXXCWYIVSQRE-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.05
Rot. Bonds3

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide (PubChem CID 111733065) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
PubChem CID111733065
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESC/N=C(\NCc1ncc(C)c(OC)c1C)N1CCC2(CCCC2)C1
InChIInChI=1S/C19H30N4O/c1-14-11-21-16(15(2)17(14)24-4)12-22-18(20-3)23-10-9-19(13-23)7-5-6-8-19/h11H,5-10,12-13H2,1-4H3,(H,20,22)
InChIKeyVLJXXCWYIVSQRE-UHFFFAOYSA-N
XLogP3.05
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144892
N'-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732872
N-[(2,3-dimethoxyphenyl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745038
N-[(3-methoxyphenyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732371
N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 119145336
N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732551
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745214
N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732747
N'-methyl-N-(pyridin-2-ylmethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744951
N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733654
N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489578
N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 119145392

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide (CID 111733065) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide is C/N=C(\NCc1ncc(C)c(OC)c1C)N1CCC2(CCCC2)C1.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
The InChIKey is VLJXXCWYIVSQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-14-11-21-16(15(2)17(14)24-4)12-22-18(20-3)23-10-9-19(13-23)7-5-6-8-19/h11H,5-10,12-13H2,1-4H3,(H,20,22).
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide has a molecular weight of 330.48 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide is sourced from PubChem (CID 111733065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).