2-[phenyl(pyridin-2-yl)methyl]guanidine

C13H14N4 — CID 54045340

IUPAC2-[phenyl(pyridin-2-yl)methyl]guanidine
SMILESNC(N)=NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C13H14N4/c14-13(15)17-12(10-6-2-1-3-7-10)11-8-4-5-9-16-11/h1-9,12H,(H4,14,15,17)
InChIKeyLPDXIRSRRLNYMR-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.44
Rot. Bonds3

About 2-[phenyl(pyridin-2-yl)methyl]guanidine

2-[phenyl(pyridin-2-yl)methyl]guanidine (PubChem CID 54045340) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[phenyl(pyridin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[phenyl(pyridin-2-yl)methyl]guanidine
PubChem CID54045340
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-[phenyl(pyridin-2-yl)methyl]guanidine
SMILESNC(N)=NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C13H14N4/c14-13(15)17-12(10-6-2-1-3-7-10)11-8-4-5-9-16-11/h1-9,12H,(H4,14,15,17)
InChIKeyLPDXIRSRRLNYMR-UHFFFAOYSA-N
XLogP1.44
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
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

methyl N-cyano-N'-[phenyl(pyridin-2-yl)methyl]carbamimidothioate
CID 12953103
2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid
CID 70436230
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine
CID 14660391
[(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane
CID 101016472
ethane;2-(1-phenylethyl)pyridine
CID 143899083
2,2-dipyridin-2-ylethanethioamide
CID 3035355
1,3-benzothiazol-2-yl-[phenyl(pyridin-2-yl)methyl]diazene
CID 91896126
phenyl(pyridin-2-yl)methanesulfonamide
CID 62085635
cumene;ethane;2-propan-2-ylpyridine
CID 160627938
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
(2R)-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]propanamide
CID 34156658

Frequently Asked Questions

What is the IUPAC name of 2-[phenyl(pyridin-2-yl)methyl]guanidine?
The IUPAC name of 2-[phenyl(pyridin-2-yl)methyl]guanidine (CID 54045340) is 2-[phenyl(pyridin-2-yl)methyl]guanidine.
What is the SMILES notation for 2-[phenyl(pyridin-2-yl)methyl]guanidine?
The canonical SMILES for 2-[phenyl(pyridin-2-yl)methyl]guanidine is NC(N)=NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-[phenyl(pyridin-2-yl)methyl]guanidine?
The InChIKey is LPDXIRSRRLNYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-13(15)17-12(10-6-2-1-3-7-10)11-8-4-5-9-16-11/h1-9,12H,(H4,14,15,17).
What are the key properties of 2-[phenyl(pyridin-2-yl)methyl]guanidine?
2-[phenyl(pyridin-2-yl)methyl]guanidine has a molecular weight of 226.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl(pyridin-2-yl)methyl]guanidine is sourced from PubChem (CID 54045340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).