2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide

C16H19N3O2 — CID 61176359

IUPAC2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1OCc1ccc(OC)cc1
InChIInChI=1S/C16H19N3O2/c1-10-8-11(2)19-16(14(10)15(17)18)21-9-12-4-6-13(20-3)7-5-12/h4-8H,9H2,1-3H3,(H3,17,18)
InChIKeyJNNAPMQOVBLOGC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.57
Rot. Bonds5

About 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide

2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 61176359) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
PubChem CID61176359
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1OCc1ccc(OC)cc1
InChIInChI=1S/C16H19N3O2/c1-10-8-11(2)19-16(14(10)15(17)18)21-9-12-4-6-13(20-3)7-5-12/h4-8H,9H2,1-3H3,(H3,17,18)
InChIKeyJNNAPMQOVBLOGC-UHFFFAOYSA-N
XLogP2.57
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.57
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'}

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Related Compounds

2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61229142
4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide
CID 61175204
2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 82824229
4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
CID 61177313
2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562382
2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61177118
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 61177256
2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 106202063
1-[2-[(4-methoxyphenyl)methoxy]-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62291859
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide
CID 61177131

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide (CID 61176359) is 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1OCc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is JNNAPMQOVBLOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-8-11(2)19-16(14(10)15(17)18)21-9-12-4-6-13(20-3)7-5-12/h4-8H,9H2,1-3H3,(H3,17,18).
What are the key properties of 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide?
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 285.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 61176359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).