2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide

C13H17N5 — CID 114769180

IUPAC2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(-n2ccnc2CCC)c1
InChIInChI=1S/C13H17N5/c1-3-4-11-16-5-6-18(11)12-8-10(13(14)15)7-9(2)17-12/h5-8H,3-4H2,1-2H3,(H3,14,15)
InChIKeyOHVOWMPIQRAIOX-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.81
Rot. Bonds4

About 2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide

2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide (PubChem CID 114769180) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide
PubChem CID114769180
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(-n2ccnc2CCC)c1
InChIInChI=1S/C13H17N5/c1-3-4-11-16-5-6-18(11)12-8-10(13(14)15)7-9(2)17-12/h5-8H,3-4H2,1-2H3,(H3,14,15)
InChIKeyOHVOWMPIQRAIOX-UHFFFAOYSA-N
XLogP1.81
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.81
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'}

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Related Compounds

4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81293852
2-(ethylamino)-6-methylpyridine-4-carboximidamide
CID 114769014
2-[ethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768868
4-methoxy-6-(2-propylimidazol-1-yl)pyrimidin-2-amine
CID 114053325
2-methyl-6-pentoxypyridine-4-carboximidamide
CID 114769287
2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboximidamide
CID 114768904
2-(dipropylamino)-6-methylpyridine-4-carboximidamide
CID 114768837
3-chloro-4-(2-ethylimidazol-1-yl)benzenecarboximidamide
CID 63089231
2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboximidamide
CID 102744106
4-(2-ethylimidazol-1-yl)-2,6-dimethylpyrimidine
CID 55238460
N'-hydroxy-6-methyl-2-(2-propylimidazol-1-yl)pyridine-3-carboximidamide
CID 77021204
2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide
CID 114768874

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide?
The IUPAC name of 2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide (CID 114769180) is 2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide.
What is the SMILES notation for 2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide?
The canonical SMILES for 2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(-n2ccnc2CCC)c1.
What is the InChIKey of 2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide?
The InChIKey is OHVOWMPIQRAIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-3-4-11-16-5-6-18(11)12-8-10(13(14)15)7-9(2)17-12/h5-8H,3-4H2,1-2H3,(H3,14,15).
What are the key properties of 2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide?
2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide has a molecular weight of 243.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide is sourced from PubChem (CID 114769180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).