[C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium

C16H18N3O2+ — CID 143910067

IUPAC[C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium
SMILES[H]/N=C(/N=C(\[OH2+])c1ccc(C)c(OC)c1)c1ccncc1C
InChIInChI=1S/C16H17N3O2/c1-10-4-5-12(8-14(10)21-3)16(20)19-15(17)13-6-7-18-9-11(13)2/h4-9H,1-3H3,(H2,17,19,20)/p+1
InChIKeyYUMOXLLVKICMSH-UHFFFAOYSA-O
MW284.34 g/mol
LogP2.20
Rot. Bonds3

About [C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium

[C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium (PubChem CID 143910067) has the molecular formula C16H18N3O2+ and a molecular weight of 284.34 g/mol. Its IUPAC name is [C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium.

Molecular Properties

Compound Name[C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium
PubChem CID143910067
Molecular FormulaC16H18N3O2+
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name[C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium
SMILES[H]/N=C(/N=C(\[OH2+])c1ccc(C)c(OC)c1)c1ccncc1C
InChIInChI=1S/C16H17N3O2/c1-10-4-5-12(8-14(10)21-3)16(20)19-15(17)13-6-7-18-9-11(13)2/h4-9H,1-3H3,(H2,17,19,20)/p+1
InChIKeyYUMOXLLVKICMSH-UHFFFAOYSA-O
XLogP2.20
TPSA81.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxy-4-methylphenyl)ethanimine
CID 142083574
N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide
CID 143910071
3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide
CID 102982094
3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597
2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone
CID 143258810
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide
CID 89347951
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
(2,5-dimethylphenyl)-(3-methoxy-4-pyridinyl)methanone
CID 105064875
4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105063077
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719

Frequently Asked Questions

What is the IUPAC name of [C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium?
The IUPAC name of [C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium (CID 143910067) is [C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium.
What is the SMILES notation for [C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium?
The canonical SMILES for [C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium is [H]/N=C(/N=C(\[OH2+])c1ccc(C)c(OC)c1)c1ccncc1C.
What is the InChIKey of [C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium?
The InChIKey is YUMOXLLVKICMSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17N3O2/c1-10-4-5-12(8-14(10)21-3)16(20)19-15(17)13-6-7-18-9-11(13)2/h4-9H,1-3H3,(H2,17,19,20)/p+1.
What are the key properties of [C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium?
[C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium has a molecular weight of 284.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium is sourced from PubChem (CID 143910067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).