2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine

C18H21N5O — CID 91051497

IUPAC2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine
SMILESN#C/N=C(\N)N(CCCCCOc1ccccc1)c1ccncc1
InChIInChI=1S/C18H21N5O/c19-15-22-18(20)23(16-9-11-21-12-10-16)13-5-2-6-14-24-17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-14H2,(H2,20,22)
InChIKeyVEIGQGBLBZLSDZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.93
Rot. Bonds8

About 2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine

2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine (PubChem CID 91051497) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine.

Molecular Properties

Compound Name2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine
PubChem CID91051497
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine
SMILESN#C/N=C(\N)N(CCCCCOc1ccccc1)c1ccncc1
InChIInChI=1S/C18H21N5O/c19-15-22-18(20)23(16-9-11-21-12-10-16)13-5-2-6-14-24-17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-14H2,(H2,20,22)
InChIKeyVEIGQGBLBZLSDZ-UHFFFAOYSA-N
XLogP2.93
TPSA87.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine 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

2-cyano-1-[6-[methylsulfonyl(phenylmethoxy)amino]hexyl]-1-pyridin-4-ylguanidine
CID 89051827
2-(2-aminoethoxy)ethyl [4-[6-(4-chlorophenoxy)hexyl-(N'-cyanocarbamimidoyl)amino]pyridin-1-ium-1-yl]methyl carbonate
CID 90839336
4-(5-phenoxypentyl)pyridine
CID 117060417
2-cyano-1-[8-[cyclopentylsulfonyl(3-morpholin-4-ylpropyl)amino]octyl]-1-pyridin-4-ylguanidine
CID 89051828
1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine
CID 70297142
[[4-[6-(4-chlorophenoxy)hexyl-(N'-cyanocarbamimidoyl)amino]pyridin-1-ium-1-yl]-[2-(2-methoxyethoxy)ethoxy]methyl] formate
CID 118221534
[[4-[6-(4-chlorophenoxy)hexyl-(N'-cyanocarbamimidoyl)amino]pyridin-1-ium-1-yl]-methoxy-piperidin-3-ylmethyl] formate chloride
CID 87794546
1-cyano-1-[6-[cyano-(N'-pyridin-3-ylcarbamimidoyl)amino]hexyl]-2-pyridin-3-ylguanidine
CID 54410768
2-cyano-1-pyridin-4-yl-1-(2,3,3-trimethylbutan-2-yl)guanidine;hydrate
CID 57352459
2-cyano-1-(8-phenylmethoxy-8-sulfamoyloctan-2-yl)-1-pyridin-4-ylguanidine
CID 91448499
6-[cyano-(N'-pyridin-4-ylcarbamimidoyl)amino]hexanoic acid
CID 154374356
2-(7-phenoxyheptoxy)acetamide
CID 153330522

Frequently Asked Questions

What is the IUPAC name of 2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine?
The IUPAC name of 2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine (CID 91051497) is 2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine.
What is the SMILES notation for 2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine?
The canonical SMILES for 2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine is N#C/N=C(\N)N(CCCCCOc1ccccc1)c1ccncc1.
What is the InChIKey of 2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine?
The InChIKey is VEIGQGBLBZLSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c19-15-22-18(20)23(16-9-11-21-12-10-16)13-5-2-6-14-24-17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-14H2,(H2,20,22).
What are the key properties of 2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine?
2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine has a molecular weight of 323.40 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine is sourced from PubChem (CID 91051497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).