1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide

C19H28IN5O — CID 110969833

IUPAC1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccn1)NCCCCn1c(C)cccc1=O.I
InChIInChI=1S/C19H27N5O.HI/c1-3-20-19(23-15-17-10-4-5-12-21-17)22-13-6-7-14-24-16(2)9-8-11-18(24)25;/h4-5,8-12H,3,6-7,13-15H2,1-2H3,(H2,20,22,23);1H
InChIKeyFINKSUCVMHDIDO-UHFFFAOYSA-N
MW469.37 g/mol
LogP2.71
Rot. Bonds8

About 1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide

1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 110969833) has the molecular formula C19H28IN5O and a molecular weight of 469.37 g/mol. Its IUPAC name is 1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
PubChem CID110969833
Molecular FormulaC19H28IN5O
Molecular Weight469.37 g/mol
Exact Mass469.13
IUPAC Name1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccn1)NCCCCn1c(C)cccc1=O.I
InChIInChI=1S/C19H27N5O.HI/c1-3-20-19(23-15-17-10-4-5-12-21-17)22-13-6-7-14-24-16(2)9-8-11-18(24)25;/h4-5,8-12H,3,6-7,13-15H2,1-2H3,(H2,20,22,23);1H
InChIKeyFINKSUCVMHDIDO-UHFFFAOYSA-N
XLogP2.71
TPSA71.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
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'}

Analyze 1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide 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-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111901366
1-butyl-3-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111150897
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 109418553
1-ethyl-3-[4-(4-methylpiperazin-1-yl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968461
methyl 6-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]hexanoate;hydroiodide
CID 110969981
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 109411054
1-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111890258
1-ethyl-3-(5-methoxypentyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968659
1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969500
1-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968947
1-ethyl-3-[4-(pyridin-2-ylamino)butyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110970205
3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 110970973

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide (CID 110969833) is 1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide is CCN/C(=N\Cc1ccccn1)NCCCCn1c(C)cccc1=O.I.
What is the InChIKey of 1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is FINKSUCVMHDIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O.HI/c1-3-20-19(23-15-17-10-4-5-12-21-17)22-13-6-7-14-24-16(2)9-8-11-18(24)25;/h4-5,8-12H,3,6-7,13-15H2,1-2H3,(H2,20,22,23);1H.
What are the key properties of 1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 469.37 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110969833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).