1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine

C15H19N5 — CID 116516182

IUPAC1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine
SMILESCCc1cccnc1C/N=C(\NN)Nc1ccccc1
InChIInChI=1S/C15H19N5/c1-2-12-7-6-10-17-14(12)11-18-15(20-16)19-13-8-4-3-5-9-13/h3-10H,2,11,16H2,1H3,(H2,18,19,20)
InChIKeyZSRPLOZTFVRFIZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.08
Rot. Bonds4

About 1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine

1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine (PubChem CID 116516182) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine.

Molecular Properties

Compound Name1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine
PubChem CID116516182
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine
SMILESCCc1cccnc1C/N=C(\NN)Nc1ccccc1
InChIInChI=1S/C15H19N5/c1-2-12-7-6-10-17-14(12)11-18-15(20-16)19-13-8-4-3-5-9-13/h3-10H,2,11,16H2,1H3,(H2,18,19,20)
InChIKeyZSRPLOZTFVRFIZ-UHFFFAOYSA-N
XLogP2.08
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-propan-2-ylguanidine
CID 116516181
1-amino-2-[(3-ethylthiophen-2-yl)methyl]-3-phenylguanidine
CID 116516017
1-ethyl-2-[(3-ethyl-2-pyridinyl)methyl]guanidine
CID 82739158
1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 116515248
2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide
CID 82736524
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine
CID 116511182
1-amino-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 116512555
1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111802358
1-amino-2-pentyl-3-phenylguanidine
CID 116511896
N'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide
CID 82753773
1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
CID 116513757

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine?
The IUPAC name of 1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine (CID 116516182) is 1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine.
What is the SMILES notation for 1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine?
The canonical SMILES for 1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine is CCc1cccnc1C/N=C(\NN)Nc1ccccc1.
What is the InChIKey of 1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine?
The InChIKey is ZSRPLOZTFVRFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-2-12-7-6-10-17-14(12)11-18-15(20-16)19-13-8-4-3-5-9-13/h3-10H,2,11,16H2,1H3,(H2,18,19,20).
What are the key properties of 1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine?
1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine has a molecular weight of 269.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine is sourced from PubChem (CID 116516182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).