2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine

C17H18N4 — CID 95553750

IUPAC2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine
SMILESCc1cccc(C[C@H](C)n2ccnc2-c2ccncc2)n1
InChIInChI=1S/C17H18N4/c1-13-4-3-5-16(20-13)12-14(2)21-11-10-19-17(21)15-6-8-18-9-7-15/h3-11,14H,12H2,1-2H3/t14-/m0/s1
InChIKeyKRJCSKCZODVFEO-AWEZNQCLSA-N
MW278.36 g/mol
LogP3.45
Rot. Bonds4

About 2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine

2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine (PubChem CID 95553750) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine
PubChem CID95553750
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine
SMILESCc1cccc(C[C@H](C)n2ccnc2-c2ccncc2)n1
InChIInChI=1S/C17H18N4/c1-13-4-3-5-16(20-13)12-14(2)21-11-10-19-17(21)15-6-8-18-9-7-15/h3-11,14H,12H2,1-2H3/t14-/m0/s1
InChIKeyKRJCSKCZODVFEO-AWEZNQCLSA-N
XLogP3.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine?
The IUPAC name of 2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine (CID 95553750) is 2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine.
What is the SMILES notation for 2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine?
The canonical SMILES for 2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine is Cc1cccc(C[C@H](C)n2ccnc2-c2ccncc2)n1.
What is the InChIKey of 2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine?
The InChIKey is KRJCSKCZODVFEO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N4/c1-13-4-3-5-16(20-13)12-14(2)21-11-10-19-17(21)15-6-8-18-9-7-15/h3-11,14H,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine?
2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine has a molecular weight of 278.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine is sourced from PubChem (CID 95553750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).