N'-methyl-3-pyridin-3-ylbenzenecarboximidamide

C13H13N3 — CID 145179750

IUPACN'-methyl-3-pyridin-3-ylbenzenecarboximidamide
SMILESC/N=C(\N)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C13H13N3/c1-15-13(14)11-5-2-4-10(8-11)12-6-3-7-16-9-12/h2-9H,1H3,(H2,14,15)
InChIKeyGPEKUOQXLDGGRN-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.08
Rot. Bonds2

About N'-methyl-3-pyridin-3-ylbenzenecarboximidamide

N'-methyl-3-pyridin-3-ylbenzenecarboximidamide (PubChem CID 145179750) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is N'-methyl-3-pyridin-3-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-methyl-3-pyridin-3-ylbenzenecarboximidamide
PubChem CID145179750
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC NameN'-methyl-3-pyridin-3-ylbenzenecarboximidamide
SMILESC/N=C(\N)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C13H13N3/c1-15-13(14)11-5-2-4-10(8-11)12-6-3-7-16-9-12/h2-9H,1H3,(H2,14,15)
InChIKeyGPEKUOQXLDGGRN-UHFFFAOYSA-N
XLogP2.08
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
3-(1H-imidazol-5-yl)-N'-methylbenzenecarboximidamide;hydrochloride
CID 45261804
3-pyridin-3-ylbenzoic acid
CID 2795575
N-benzyl-1-(4-fluoranthen-3-ylphenyl)methanimine;N'-methyl-3-pyridin-3-ylbenzenecarboximidamide
CID 145179748
3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane
CID 143898131
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
3-pyridin-3-ylbenzoyl azide
CID 89407530
cyclopenta[c]azepine
CID 638010
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide
CID 174087200
2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 176586529
3-pyridin-3-ylaniline;dihydrochloride
CID 21146183

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-pyridin-3-ylbenzenecarboximidamide?
The IUPAC name of N'-methyl-3-pyridin-3-ylbenzenecarboximidamide (CID 145179750) is N'-methyl-3-pyridin-3-ylbenzenecarboximidamide.
What is the SMILES notation for N'-methyl-3-pyridin-3-ylbenzenecarboximidamide?
The canonical SMILES for N'-methyl-3-pyridin-3-ylbenzenecarboximidamide is C/N=C(\N)c1cccc(-c2cccnc2)c1.
What is the InChIKey of N'-methyl-3-pyridin-3-ylbenzenecarboximidamide?
The InChIKey is GPEKUOQXLDGGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-15-13(14)11-5-2-4-10(8-11)12-6-3-7-16-9-12/h2-9H,1H3,(H2,14,15).
What are the key properties of N'-methyl-3-pyridin-3-ylbenzenecarboximidamide?
N'-methyl-3-pyridin-3-ylbenzenecarboximidamide has a molecular weight of 211.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-pyridin-3-ylbenzenecarboximidamide is sourced from PubChem (CID 145179750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).