N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide

C18H27N5 — CID 111210841

IUPACN-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CCc1cn2ccccc2n1)N1CCC(C)CC1
InChIInChI=1S/C18H27N5/c1-3-19-18(22-12-8-15(2)9-13-22)20-10-7-16-14-23-11-5-4-6-17(23)21-16/h4-6,11,14-15H,3,7-10,12-13H2,1-2H3,(H,19,20)
InChIKeyBSVPMLMOTTWMKW-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.57
Rot. Bonds4

About N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide

N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide (PubChem CID 111210841) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide
PubChem CID111210841
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC NameN-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CCc1cn2ccccc2n1)N1CCC(C)CC1
InChIInChI=1S/C18H27N5/c1-3-19-18(22-12-8-15(2)9-13-22)20-10-7-16-14-23-11-5-4-6-17(23)21-16/h4-6,11,14-15H,3,7-10,12-13H2,1-2H3,(H,19,20)
InChIKeyBSVPMLMOTTWMKW-UHFFFAOYSA-N
XLogP2.57
TPSA44.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)pyrrolidine-1-carboximidamide
CID 110956238
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153181
4-acetyl-N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110963476
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide
CID 110961655
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide
CID 111748726
N,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide
CID 109485966
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448558
1-cyclohexyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 110958559
N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111040187
N-ethyl-4-methyl-N'-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111210716
3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383509
N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 111211579

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide (CID 111210841) is N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide is CCN/C(=N\CCc1cn2ccccc2n1)N1CCC(C)CC1.
What is the InChIKey of N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide?
The InChIKey is BSVPMLMOTTWMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-3-19-18(22-12-8-15(2)9-13-22)20-10-7-16-14-23-11-5-4-6-17(23)21-16/h4-6,11,14-15H,3,7-10,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide?
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide has a molecular weight of 313.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111210841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).