2-(5-methyl-2-pyridinyl)-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine

C18H17N3 — CID 44552296

IUPAC2-(5-methyl-2-pyridinyl)-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine
SMILESCc1ccc(-c2ccc(/C=C/c3cccn3C)cn2)nc1
InChIInChI=1S/C18H17N3/c1-14-5-9-17(19-12-14)18-10-7-15(13-20-18)6-8-16-4-3-11-21(16)2/h3-13H,1-2H3/b8-6+
InChIKeyDZFTYXJPFAMLQI-SOFGYWHQSA-N
MW275.36 g/mol
LogP3.96
Rot. Bonds3

About 2-(5-methyl-2-pyridinyl)-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine

2-(5-methyl-2-pyridinyl)-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine (PubChem CID 44552296) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-(5-methyl-2-pyridinyl)-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine.

Molecular Properties

Compound Name2-(5-methyl-2-pyridinyl)-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine
PubChem CID44552296
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-(5-methyl-2-pyridinyl)-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine
SMILESCc1ccc(-c2ccc(/C=C/c3cccn3C)cn2)nc1
InChIInChI=1S/C18H17N3/c1-14-5-9-17(19-12-14)18-10-7-15(13-20-18)6-8-16-4-3-11-21(16)2/h3-13H,1-2H3/b8-6+
InChIKeyDZFTYXJPFAMLQI-SOFGYWHQSA-N
XLogP3.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

Nicotine
CID 89594
Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
2,2'-Bipyridine
CID 1474
Pheniramine
CID 4761
Paraquat
CID 15939
Azatadine
CID 19861
Triprolidine Hydrochloride Anhydrous
CID 5702129
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Anabaseine
CID 18985
Latrepirdine
CID 197033

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-pyridinyl)-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine?
The IUPAC name of 2-(5-methyl-2-pyridinyl)-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine (CID 44552296) is 2-(5-methyl-2-pyridinyl)-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine.
What is the SMILES notation for 2-(5-methyl-2-pyridinyl)-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine?
The canonical SMILES for 2-(5-methyl-2-pyridinyl)-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine is Cc1ccc(-c2ccc(/C=C/c3cccn3C)cn2)nc1.
What is the InChIKey of 2-(5-methyl-2-pyridinyl)-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine?
The InChIKey is DZFTYXJPFAMLQI-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H17N3/c1-14-5-9-17(19-12-14)18-10-7-15(13-20-18)6-8-16-4-3-11-21(16)2/h3-13H,1-2H3/b8-6+.
What are the key properties of 2-(5-methyl-2-pyridinyl)-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine?
2-(5-methyl-2-pyridinyl)-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine has a molecular weight of 275.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyridinyl)-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine is sourced from PubChem (CID 44552296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).