N'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide

C20H26N4O2 — CID 52763454

IUPACN'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide
SMILESCOc1ccc(C)cc1CO/N=C(\N)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C20H26N4O2/c1-15-6-8-18(25-2)17(12-15)14-26-23-20(21)16-7-9-19(22-13-16)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H2,21,23)
InChIKeyNAFBFFFDCQVXDC-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.23
Rot. Bonds6

About N'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide

N'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide (PubChem CID 52763454) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide
PubChem CID52763454
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide
SMILESCOc1ccc(C)cc1CO/N=C(\N)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C20H26N4O2/c1-15-6-8-18(25-2)17(12-15)14-26-23-20(21)16-7-9-19(22-13-16)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H2,21,23)
InChIKeyNAFBFFFDCQVXDC-UHFFFAOYSA-N
XLogP3.23
TPSA72.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide?
The IUPAC name of N'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide (CID 52763454) is N'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide.
What is the SMILES notation for N'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide?
The canonical SMILES for N'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide is COc1ccc(C)cc1CO/N=C(\N)c1ccc(N2CCCCC2)nc1.
What is the InChIKey of N'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide?
The InChIKey is NAFBFFFDCQVXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-6-8-18(25-2)17(12-15)14-26-23-20(21)16-7-9-19(22-13-16)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H2,21,23).
What are the key properties of N'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide?
N'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide has a molecular weight of 354.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide is sourced from PubChem (CID 52763454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).