4-methoxy-3,5-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridine

C19H23N3O — CID 72706419

IUPAC4-methoxy-3,5-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridine
SMILESCOc1c(C)cnc(/C=C/c2cccc(N3CCCC3)n2)c1C
InChIInChI=1S/C19H23N3O/c1-14-13-20-17(15(2)19(14)23-3)10-9-16-7-6-8-18(21-16)22-11-4-5-12-22/h6-10,13H,4-5,11-12H2,1-3H3/b10-9+
InChIKeyAPZPCBSBFOSPHW-MDZDMXLPSA-N
MW309.41 g/mol
LogP3.87
Rot. Bonds4

About 4-methoxy-3,5-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridine

4-methoxy-3,5-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridine (PubChem CID 72706419) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridine.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridine
PubChem CID72706419
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-methoxy-3,5-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridine
SMILESCOc1c(C)cnc(/C=C/c2cccc(N3CCCC3)n2)c1C
InChIInChI=1S/C19H23N3O/c1-14-13-20-17(15(2)19(14)23-3)10-9-16-7-6-8-18(21-16)22-11-4-5-12-22/h6-10,13H,4-5,11-12H2,1-3H3/b10-9+
InChIKeyAPZPCBSBFOSPHW-MDZDMXLPSA-N
XLogP3.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridine?
The IUPAC name of 4-methoxy-3,5-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridine (CID 72706419) is 4-methoxy-3,5-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridine.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridine?
The canonical SMILES for 4-methoxy-3,5-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridine is COc1c(C)cnc(/C=C/c2cccc(N3CCCC3)n2)c1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridine?
The InChIKey is APZPCBSBFOSPHW-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-13-20-17(15(2)19(14)23-3)10-9-16-7-6-8-18(21-16)22-11-4-5-12-22/h6-10,13H,4-5,11-12H2,1-3H3/b10-9+.
What are the key properties of 4-methoxy-3,5-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridine?
4-methoxy-3,5-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridine has a molecular weight of 309.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridine is sourced from PubChem (CID 72706419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).