2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide

C17H28IN5O2 — CID 111767020

IUPAC2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\Cc1ccnc(OCC2CC2)c1)NCC(=O)N(C)C.I
InChIInChI=1S/C17H27N5O2.HI/c1-4-18-17(21-11-16(23)22(2)3)20-10-14-7-8-19-15(9-14)24-12-13-5-6-13;/h7-9,13H,4-6,10-12H2,1-3H3,(H2,18,20,21);1H
InChIKeyJYPLSNPJUQESQE-UHFFFAOYSA-N
MW461.35 g/mol
LogP1.63
Rot. Bonds8

About 2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide

2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111767020) has the molecular formula C17H28IN5O2 and a molecular weight of 461.35 g/mol. Its IUPAC name is 2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111767020
Molecular FormulaC17H28IN5O2
Molecular Weight461.35 g/mol
Exact Mass461.13
IUPAC Name2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\Cc1ccnc(OCC2CC2)c1)NCC(=O)N(C)C.I
InChIInChI=1S/C17H27N5O2.HI/c1-4-18-17(21-11-16(23)22(2)3)20-10-14-7-8-19-15(9-14)24-12-13-5-6-13;/h7-9,13H,4-6,10-12H2,1-3H3,(H2,18,20,21);1H
InChIKeyJYPLSNPJUQESQE-UHFFFAOYSA-N
XLogP1.63
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide with MolForge

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Related Compounds

N-tert-butyl-2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111767708
1-benzyl-2-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
CID 111758629
2-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111758876
2-[[N'-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 111363923
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
CID 111767562
1-(cyclopropylmethyl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
CID 111868897
1-(cyclopropylmethyl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine
CID 111868898
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,3-diethylguanidine;hydroiodide
CID 110917759
1,3-diethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine
CID 111179278
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,3-diethylguanidine
CID 110917760
2-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111807589
2-[[N'-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365596

Frequently Asked Questions

What is the IUPAC name of 2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide (CID 111767020) is 2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide is CCN/C(=N\Cc1ccnc(OCC2CC2)c1)NCC(=O)N(C)C.I.
What is the InChIKey of 2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is JYPLSNPJUQESQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2.HI/c1-4-18-17(21-11-16(23)22(2)3)20-10-14-7-8-19-15(9-14)24-12-13-5-6-13;/h7-9,13H,4-6,10-12H2,1-3H3,(H2,18,20,21);1H.
What are the key properties of 2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 461.35 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N'-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111767020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).