N-ethyl-4-phenyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide

C22H32IN5O — CID 111263578

IUPACN-ethyl-4-phenyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCc1nc(C(C)C)no1)N1CC=C(c2ccccc2)CC1.I
InChIInChI=1S/C22H31N5O.HI/c1-4-23-22(24-14-8-11-20-25-21(17(2)3)26-28-20)27-15-12-19(13-16-27)18-9-6-5-7-10-18;/h5-7,9-10,12,17H,4,8,11,13-16H2,1-3H3,(H,23,24);1H
InChIKeyXYZPEEODRRSPFI-UHFFFAOYSA-N
MW509.44 g/mol
LogP4.50
Rot. Bonds7

About N-ethyl-4-phenyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide

N-ethyl-4-phenyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide (PubChem CID 111263578) has the molecular formula C22H32IN5O and a molecular weight of 509.44 g/mol. Its IUPAC name is N-ethyl-4-phenyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-4-phenyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
PubChem CID111263578
Molecular FormulaC22H32IN5O
Molecular Weight509.44 g/mol
Exact Mass509.17
IUPAC NameN-ethyl-4-phenyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCc1nc(C(C)C)no1)N1CC=C(c2ccccc2)CC1.I
InChIInChI=1S/C22H31N5O.HI/c1-4-23-22(24-14-8-11-20-25-21(17(2)3)26-28-20)27-15-12-19(13-16-27)18-9-6-5-7-10-18;/h5-7,9-10,12,17H,4,8,11,13-16H2,1-3H3,(H,23,24);1H
InChIKeyXYZPEEODRRSPFI-UHFFFAOYSA-N
XLogP4.50
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
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-ethyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946433
4-(2,3-dimethylphenyl)-N-ethyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111238358
N-ethyl-4-(2-methoxyphenyl)-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide
CID 111132687
N-ethyl-2,2-dimethyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]thiomorpholine-4-carboximidamide
CID 109488943
N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263811
N-ethyl-4-phenoxy-N'-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide
CID 109426886
N-ethyl-N'-[3-(oxolan-2-ylmethoxy)propyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263222
N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111264039
N-ethyl-2-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 111263362
N-ethyl-4-phenyl-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263630
N-ethyl-N'-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377700
N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263382

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-phenyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-4-phenyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide (CID 111263578) is N-ethyl-4-phenyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-4-phenyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-4-phenyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCc1nc(C(C)C)no1)N1CC=C(c2ccccc2)CC1.I.
What is the InChIKey of N-ethyl-4-phenyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?
The InChIKey is XYZPEEODRRSPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O.HI/c1-4-23-22(24-14-8-11-20-25-21(17(2)3)26-28-20)27-15-12-19(13-16-27)18-9-6-5-7-10-18;/h5-7,9-10,12,17H,4,8,11,13-16H2,1-3H3,(H,23,24);1H.
What are the key properties of N-ethyl-4-phenyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?
N-ethyl-4-phenyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide has a molecular weight of 509.44 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-phenyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111263578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).