1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine

C14H13N5 — CID 140989208

IUPAC1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine
SMILESN#CN/C(=N\Cc1ccccn1)Nc1ccccc1
InChIInChI=1S/C14H13N5/c15-11-18-14(19-12-6-2-1-3-7-12)17-10-13-8-4-5-9-16-13/h1-9H,10H2,(H2,17,18,19)
InChIKeyOOEKJUZUNXKXGL-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.12
Rot. Bonds3

About 1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine

1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 140989208) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine
PubChem CID140989208
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine
SMILESN#CN/C(=N\Cc1ccccn1)Nc1ccccc1
InChIInChI=1S/C14H13N5/c15-11-18-14(19-12-6-2-1-3-7-12)17-10-13-8-4-5-9-16-13/h1-9H,10H2,(H2,17,18,19)
InChIKeyOOEKJUZUNXKXGL-UHFFFAOYSA-N
XLogP2.12
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
3-methoxy-N-[N-phenyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
CID 50818075
ethyl 3-[[2-[[3-[[N-cyano-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]benzoyl]amino]acetyl]amino]-3-phenylpropanoate
CID 20745449
1-cyano-2-methyl-3-phenylguanidine;ethane
CID 90945142
1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine
CID 75482232
1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969500
3-methyl-N-[N-(4-methylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
CID 50817971
1-cyano-2-[12-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]dodecyl]-3-pyridin-4-ylguanidine
CID 46938208
1-ethyl-3-propan-2-yl-2-(pyridin-2-ylmethyl)guanidine
CID 111123683
methyl 3-[[N-benzoyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]benzoate
CID 50818417
1-phenyl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363835
N-[N-(4-bromophenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-3-methylbenzamide
CID 50817965

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine (CID 140989208) is 1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine is N#CN/C(=N\Cc1ccccn1)Nc1ccccc1.
What is the InChIKey of 1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is OOEKJUZUNXKXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c15-11-18-14(19-12-6-2-1-3-7-12)17-10-13-8-4-5-9-16-13/h1-9H,10H2,(H2,17,18,19).
What are the key properties of 1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine?
1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 251.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 140989208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).