2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine

C14H19N3 — CID 143725116

IUPAC2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine
SMILESCCC(Cc1nc[nH]c1C)c1cccnc1C
InChIInChI=1S/C14H19N3/c1-4-12(8-14-11(3)16-9-17-14)13-6-5-7-15-10(13)2/h5-7,9,12H,4,8H2,1-3H3,(H,16,17)
InChIKeyHYCJHXPWAPSLKP-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.16
Rot. Bonds4

About 2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine

2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine (PubChem CID 143725116) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine.

Molecular Properties

Compound Name2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine
PubChem CID143725116
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine
SMILESCCC(Cc1nc[nH]c1C)c1cccnc1C
InChIInChI=1S/C14H19N3/c1-4-12(8-14-11(3)16-9-17-14)13-6-5-7-15-10(13)2/h5-7,9,12H,4,8H2,1-3H3,(H,16,17)
InChIKeyHYCJHXPWAPSLKP-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hexan-3-yl-2-methylpyridine
CID 143825062
ethane;3-heptan-4-yl-2-methylpyridine
CID 143825065
ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol
CID 144739559
3-ethyl-1-(2-methyl-3-pyridinyl)pentan-1-amine
CID 105176719
ethane;2-methyl-3-propan-2-ylpyridine
CID 142858508
2-(2,6-dimethylphenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105174636
N-ethyl-2-(4-ethylphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105101754
N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105082350
[2-(4-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]hydrazine
CID 105283767
N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984281
ethane;2-methyl-3-propan-2-ylpyridine;vanadium
CID 143650392
(1S)-1-(2-methyl-3-pyridinyl)ethanamine
CID 94864826

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine?
The IUPAC name of 2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine (CID 143725116) is 2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine.
What is the SMILES notation for 2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine?
The canonical SMILES for 2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine is CCC(Cc1nc[nH]c1C)c1cccnc1C.
What is the InChIKey of 2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine?
The InChIKey is HYCJHXPWAPSLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-12(8-14-11(3)16-9-17-14)13-6-5-7-15-10(13)2/h5-7,9,12H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine?
2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine has a molecular weight of 229.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(5-methyl-1H-imidazol-4-yl)butan-2-yl]pyridine is sourced from PubChem (CID 143725116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).