N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide

C15H20ClN5 — CID 119118072

IUPACN'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2cn3cc(Cl)ccc3n2)C1
InChIInChI=1S/C15H20ClN5/c1-11-3-2-6-20(8-11)15(17)18-7-13-10-21-9-12(16)4-5-14(21)19-13/h4-5,9-11H,2-3,6-8H2,1H3,(H2,17,18)
InChIKeyJTDQTHKGVCOCRK-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.53
Rot. Bonds2

About N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide

N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 119118072) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID119118072
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC NameN'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2cn3cc(Cl)ccc3n2)C1
InChIInChI=1S/C15H20ClN5/c1-11-3-2-6-20(8-11)15(17)18-7-13-10-21-9-12(16)4-5-14(21)19-13/h4-5,9-11H,2-3,6-8H2,1H3,(H2,17,18)
InChIKeyJTDQTHKGVCOCRK-UHFFFAOYSA-N
XLogP2.53
TPSA58.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.53
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'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661163
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130101
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045706
N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
CID 111143706
N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 120580585
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464
N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111032344
N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride
CID 158187066
N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111051628
N'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide
CID 122097184
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111078920

Frequently Asked Questions

What is the IUPAC name of N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide (CID 119118072) is N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/Cc2cn3cc(Cl)ccc3n2)C1.
What is the InChIKey of N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is JTDQTHKGVCOCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-11-3-2-6-20(8-11)15(17)18-7-13-10-21-9-12(16)4-5-14(21)19-13/h4-5,9-11H,2-3,6-8H2,1H3,(H2,17,18).
What are the key properties of N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide?
N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 305.81 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 119118072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).