N,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide

C19H31IN6O — CID 111010086

IUPACN,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
SMILESCCN/C(=N\CCc1cn2ccccc2n1)N(C)CC(=O)N(CC)CC.I
InChIInChI=1S/C19H30N6O.HI/c1-5-20-19(23(4)15-18(26)24(6-2)7-3)21-12-11-16-14-25-13-9-8-10-17(25)22-16;/h8-10,13-14H,5-7,11-12,15H2,1-4H3,(H,20,21);1H
InChIKeyZOANREVZNBBXSN-UHFFFAOYSA-N
MW486.40 g/mol
LogP2.26
Rot. Bonds8

About N,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide

N,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide (PubChem CID 111010086) has the molecular formula C19H31IN6O and a molecular weight of 486.40 g/mol. Its IUPAC name is N,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide.

Molecular Properties

Compound NameN,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
PubChem CID111010086
Molecular FormulaC19H31IN6O
Molecular Weight486.40 g/mol
Exact Mass486.16
IUPAC NameN,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
SMILESCCN/C(=N\CCc1cn2ccccc2n1)N(C)CC(=O)N(CC)CC.I
InChIInChI=1S/C19H30N6O.HI/c1-5-20-19(23(4)15-18(26)24(6-2)7-3)21-12-11-16-14-25-13-9-8-10-17(25)22-16;/h8-10,13-14H,5-7,11-12,15H2,1-4H3,(H,20,21);1H
InChIKeyZOANREVZNBBXSN-UHFFFAOYSA-N
XLogP2.26
TPSA65.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
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'}

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Related Compounds

N,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide
CID 111010087
N,N-diethyl-2-[[N-ethyl-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamimidoyl]-methylamino]acetamide
CID 111010197
3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine
CID 111287009
3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383509
N,N-diethyl-2-[[N-ethyl-N'-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]carbamimidoyl]-methylamino]acetamide
CID 111510071
4-acetyl-N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110963476
N,N-diethyl-2-[[N-ethyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111010242
2-[[ethylamino-(2-imidazo[1,2-a]pyridin-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364839
1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 110991788
N,N-diethyl-2-[[N-ethyl-N'-[2-(3-methylphenyl)ethyl]carbamimidoyl]-methylamino]acetamide
CID 111010137
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)pyrrolidine-1-carboximidamide
CID 110956238
2-[[N'-[3-(1,3-benzothiazol-2-yl)propyl]-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide
CID 111009913

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide?
The IUPAC name of N,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide (CID 111010086) is N,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide.
What is the SMILES notation for N,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide?
The canonical SMILES for N,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide is CCN/C(=N\CCc1cn2ccccc2n1)N(C)CC(=O)N(CC)CC.I.
What is the InChIKey of N,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide?
The InChIKey is ZOANREVZNBBXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O.HI/c1-5-20-19(23(4)15-18(26)24(6-2)7-3)21-12-11-16-14-25-13-9-8-10-17(25)22-16;/h8-10,13-14H,5-7,11-12,15H2,1-4H3,(H,20,21);1H.
What are the key properties of N,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide?
N,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide has a molecular weight of 486.40 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide is sourced from PubChem (CID 111010086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).