N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide

C19H26IN5O2 — CID 111192093

IUPACN-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide
SMILESCCN/C(=N\CCc1ccccn1)NCCNC(=O)c1ccccc1O.I
InChIInChI=1S/C19H25N5O2.HI/c1-2-20-19(23-12-10-15-7-5-6-11-21-15)24-14-13-22-18(26)16-8-3-4-9-17(16)25;/h3-9,11,25H,2,10,12-14H2,1H3,(H,22,26)(H2,20,23,24);1H
InChIKeyOXLFTANBPZAPNM-UHFFFAOYSA-N
MW483.35 g/mol
LogP1.93
Rot. Bonds8

About N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide

N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide (PubChem CID 111192093) has the molecular formula C19H26IN5O2 and a molecular weight of 483.35 g/mol. Its IUPAC name is N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide
PubChem CID111192093
Molecular FormulaC19H26IN5O2
Molecular Weight483.35 g/mol
Exact Mass483.11
IUPAC NameN-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide
SMILESCCN/C(=N\CCc1ccccn1)NCCNC(=O)c1ccccc1O.I
InChIInChI=1S/C19H25N5O2.HI/c1-2-20-19(23-12-10-15-7-5-6-11-21-15)24-14-13-22-18(26)16-8-3-4-9-17(16)25;/h3-9,11,25H,2,10,12-14H2,1H3,(H,22,26)(H2,20,23,24);1H
InChIKeyOXLFTANBPZAPNM-UHFFFAOYSA-N
XLogP1.93
TPSA98.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.35
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111191360
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
CID 111150952
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111194200
methyl 4-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]benzoate;hydroiodide
CID 111192985
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 110997416
N-[2-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111179698
1,2,3-tris(2-pyridin-2-ylethyl)guanidine
CID 102500512
1-ethyl-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111782076
1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111613015
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111169429

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide?
The IUPAC name of N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide (CID 111192093) is N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide?
The canonical SMILES for N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide is CCN/C(=N\CCc1ccccn1)NCCNC(=O)c1ccccc1O.I.
What is the InChIKey of N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide?
The InChIKey is OXLFTANBPZAPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.HI/c1-2-20-19(23-12-10-15-7-5-6-11-21-15)24-14-13-22-18(26)16-8-3-4-9-17(16)25;/h3-9,11,25H,2,10,12-14H2,1H3,(H,22,26)(H2,20,23,24);1H.
What are the key properties of N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide?
N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide has a molecular weight of 483.35 g/mol, XLogP of 1.93, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide is sourced from PubChem (CID 111192093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).