2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine

C17H22N4O — CID 166726409

IUPAC2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine
SMILESC=CC[C@@]1(c2ncc(-c3cccnc3OC)[nH]2)CCCCN1
InChIInChI=1S/C17H22N4O/c1-3-8-17(9-4-5-11-20-17)16-19-12-14(21-16)13-7-6-10-18-15(13)22-2/h3,6-7,10,12,20H,1,4-5,8-9,11H2,2H3,(H,19,21)/t17-/m0/s1
InChIKeyIHIMFMXLOJPUPZ-KRWDZBQOSA-N
MW298.39 g/mol
LogP3.03
Rot. Bonds5

About 2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine

2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine (PubChem CID 166726409) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine
PubChem CID166726409
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine
SMILESC=CC[C@@]1(c2ncc(-c3cccnc3OC)[nH]2)CCCCN1
InChIInChI=1S/C17H22N4O/c1-3-8-17(9-4-5-11-20-17)16-19-12-14(21-16)13-7-6-10-18-15(13)22-2/h3,6-7,10,12,20H,1,4-5,8-9,11H2,2H3,(H,19,21)/t17-/m0/s1
InChIKeyIHIMFMXLOJPUPZ-KRWDZBQOSA-N
XLogP3.03
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine?
The IUPAC name of 2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine (CID 166726409) is 2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine is C=CC[C@@]1(c2ncc(-c3cccnc3OC)[nH]2)CCCCN1.
What is the InChIKey of 2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine?
The InChIKey is IHIMFMXLOJPUPZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-8-17(9-4-5-11-20-17)16-19-12-14(21-16)13-7-6-10-18-15(13)22-2/h3,6-7,10,12,20H,1,4-5,8-9,11H2,2H3,(H,19,21)/t17-/m0/s1.
What are the key properties of 2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine?
2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine has a molecular weight of 298.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[2-[(2R)-2-prop-2-enylpiperidin-2-yl]-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 166726409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).